4-(2-cyanopropylamino)cyclohexane-1-carboxamide

C11H19N3O — CID 61043742

IUPAC4-(2-cyanopropylamino)cyclohexane-1-carboxamide
SMILESCC(C#N)CNC1CCC(C(N)=O)CC1
InChIInChI=1S/C11H19N3O/c1-8(6-12)7-14-10-4-2-9(3-5-10)11(13)15/h8-10,14H,2-5,7H2,1H3,(H2,13,15)
InChIKeyJJOMPNWEBCCVHC-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.78
Rot. Bonds4

About 4-(2-cyanopropylamino)cyclohexane-1-carboxamide

4-(2-cyanopropylamino)cyclohexane-1-carboxamide (PubChem CID 61043742) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(2-cyanopropylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(2-cyanopropylamino)cyclohexane-1-carboxamide
PubChem CID61043742
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-(2-cyanopropylamino)cyclohexane-1-carboxamide
SMILESCC(C#N)CNC1CCC(C(N)=O)CC1
InChIInChI=1S/C11H19N3O/c1-8(6-12)7-14-10-4-2-9(3-5-10)11(13)15/h8-10,14H,2-5,7H2,1H3,(H2,13,15)
InChIKeyJJOMPNWEBCCVHC-UHFFFAOYSA-N
XLogP0.78
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanopropylamino)cyclohexane-1-carboxamide?
The IUPAC name of 4-(2-cyanopropylamino)cyclohexane-1-carboxamide (CID 61043742) is 4-(2-cyanopropylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(2-cyanopropylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(2-cyanopropylamino)cyclohexane-1-carboxamide is CC(C#N)CNC1CCC(C(N)=O)CC1.
What is the InChIKey of 4-(2-cyanopropylamino)cyclohexane-1-carboxamide?
The InChIKey is JJOMPNWEBCCVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(6-12)7-14-10-4-2-9(3-5-10)11(13)15/h8-10,14H,2-5,7H2,1H3,(H2,13,15).
What are the key properties of 4-(2-cyanopropylamino)cyclohexane-1-carboxamide?
4-(2-cyanopropylamino)cyclohexane-1-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanopropylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 61043742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).