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Chemical ID: 6048136
Chemical ID:
6048136
Name [?]:
3-(1-piperidyl)propanamidine
SMILES [?]:
C1CCN(CC1)CCC(=N)N
InChi [?]:
InChI=1/C8H17N3/c9-8(10)4-7-11-5-2-1-3-6-11/h1-7H2,(H3,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,3,5,7,9,10,11,4/E:(2,3)(5,6)(9,10)/rA:11nCCCNCCCCCNN/rB:s1;s2;s3;s4;s1s5;s4;s7;s8;w9;s9;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H17N3 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.88866 |
Area: | 330.626 |
Solvation: | -1.37699 |
Coulombic: | -32.229 |
Bond Count [?]
All: | 11 |
Single: | 10 |
Double: | 1 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 155.241 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 0.46 |
LogP (Chemaxon): | 0.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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