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Chemical ID: 5010792
Chemical ID:
5010792
Name [?]:
3-ethyl-2-(2,4,4-trimethylpentyl)pyrrolidine
SMILES [?]:
CCC1CCNC1CC(C)CC(C)(C)C
InChi [?]:
InChI=1/C14H29N/c1-6-12-7-8-15-13(12)9-11(2)10-14(3,4)5/h11-13,15H,6-10H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,10,13,14,15,2,4,5,8,11,9,3,7,12,6/E:(3,4,5)/rA:15cCCCCCNCCCCCCCCC/rB:s1;s2;s3;s4;s5;s3s6;s7;s8;s9;s9;s11;s12;s12;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H29N |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 9.82428 |
Area: | 413.897 |
Solvation: | -0.523151 |
Coulombic: | -11.5992 |
Bond Count [?]
All: | 15 |
Single: | 15 |
Double: | 0 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 211.387 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.34 |
LogP (Chemaxon): | 4.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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