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Chemical ID: 4521292
Chemical ID:
4521292
Name [?]:
None
SMILES [?]:
CC1CC2(CC(N(CC2C)C)C)Nc3c1cccc3
InChi [?]:
InChI=1/C17H26N2/c1-12-9-17(10-14(3)19(4)11-13(17)2)18-16-8-6-5-7-15(12)16/h5-8,12-14,18H,9-11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,10,12,11,17,18,16,19,3,5,8,2,9,6,15,14,4,13,7/rA:19cCCCCCCNCCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s9;s7;s6;s4;s13;s2s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H26N2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 9.47404 |
Area: | 433.552 |
Solvation: | -1.36477 |
Coulombic: | -18.3134 |
Bond Count [?]
All: | 21 |
Single: | 18 |
Double: | 3 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 258.402 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.52 |
LogP (Chemaxon): | 2.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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