5-amino-N-cyanohexanamide

C7H13N3O — CID 82852451

IUPAC5-amino-N-cyanohexanamide
SMILESCC(N)CCCC(=O)NC#N
InChIInChI=1S/C7H13N3O/c1-6(9)3-2-4-7(11)10-5-8/h6H,2-4,9H2,1H3,(H,10,11)
InChIKeyYTLNAQBXRQJHEB-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.10
Rot. Bonds4

About 5-amino-N-cyanohexanamide

5-amino-N-cyanohexanamide (PubChem CID 82852451) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 5-amino-N-cyanohexanamide.

Molecular Properties

Compound Name5-amino-N-cyanohexanamide
PubChem CID82852451
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name5-amino-N-cyanohexanamide
SMILESCC(N)CCCC(=O)NC#N
InChIInChI=1S/C7H13N3O/c1-6(9)3-2-4-7(11)10-5-8/h6H,2-4,9H2,1H3,(H,10,11)
InChIKeyYTLNAQBXRQJHEB-UHFFFAOYSA-N
XLogP0.10
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-pentan-3-ylhexanamide
CID 82848944
5-amino-N-but-3-ynylhexanamide
CID 82852148
5-amino-N-(3-aminopropyl)hexanamide
CID 82851276
5-amino-N-cyclopropylhexanamide
CID 82848782
5-amino-N-(3-ethylpentan-3-yl)hexanamide
CID 82852348
3-(5-aminohexanoylamino)propanoic acid
CID 82851454
5-amino-N-(3-hydroxybutyl)hexanamide
CID 82852052
(5S)-5-aminohexanamide;hydrochloride
CID 174367343
2-amino-N-cyanopropanamide
CID 79205051
ethyl 2-(5-aminohexanoylamino)propanoate
CID 82851561
ethyl 2-(5-aminohexanoylamino)acetate
CID 82852077
2-(5-aminohexanoylamino)butanoic acid
CID 82851641

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyanohexanamide?
The IUPAC name of 5-amino-N-cyanohexanamide (CID 82852451) is 5-amino-N-cyanohexanamide.
What is the SMILES notation for 5-amino-N-cyanohexanamide?
The canonical SMILES for 5-amino-N-cyanohexanamide is CC(N)CCCC(=O)NC#N.
What is the InChIKey of 5-amino-N-cyanohexanamide?
The InChIKey is YTLNAQBXRQJHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-6(9)3-2-4-7(11)10-5-8/h6H,2-4,9H2,1H3,(H,10,11).
What are the key properties of 5-amino-N-cyanohexanamide?
5-amino-N-cyanohexanamide has a molecular weight of 155.20 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyanohexanamide is sourced from PubChem (CID 82852451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).