1-amino-N-(cyanomethyl)cyclohexane-1-carboxamide

C9H15N3O — CID 11194684

IUPAC1-amino-N-(cyanomethyl)cyclohexane-1-carboxamide
SMILESN#CCNC(=O)C1(N)CCCCC1
InChIInChI=1S/C9H15N3O/c10-6-7-12-8(13)9(11)4-2-1-3-5-9/h1-5,7,11H2,(H,12,13)
InChIKeyRUWBBBUXZRUXBG-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.29
Rot. Bonds2

About 1-amino-N-(cyanomethyl)cyclohexane-1-carboxamide

1-amino-N-(cyanomethyl)cyclohexane-1-carboxamide (PubChem CID 11194684) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-amino-N-(cyanomethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(cyanomethyl)cyclohexane-1-carboxamide
PubChem CID11194684
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-amino-N-(cyanomethyl)cyclohexane-1-carboxamide
SMILESN#CCNC(=O)C1(N)CCCCC1
InChIInChI=1S/C9H15N3O/c10-6-7-12-8(13)9(11)4-2-1-3-5-9/h1-5,7,11H2,(H,12,13)
InChIKeyRUWBBBUXZRUXBG-UHFFFAOYSA-N
XLogP0.29
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-(3-amino-3-oxopropyl)cyclohexane-1-carboxamide
CID 43553625
methyl 3-[(1-aminocyclohexanecarbonyl)amino]propanoate;hydrochloride
CID 119291127
1-amino-N-[(1-ethylcyclopropyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119322718
1-amino-N',N'-dimethylcyclohexane-1-carbohydrazide
CID 83021408
2-amino-N-(cyanomethyl)-1-methylcyclopentane-1-carboxamide
CID 82767784
1-amino-N-[(2S)-2-hydroxypropyl]cyclopentane-1-carboxamide
CID 93315414
1-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119291003
N-(3-acetamidopropyl)-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119290745
1-amino-N-(3-hydroxy-2-methylpropyl)cyclohexane-1-carboxamide
CID 65036083
1-amino-N-(2-methoxy-3,3-dimethylbutyl)cyclohexane-1-carboxamide
CID 119341486
1-amino-N-[2-(dimethylamino)-2-methylpropyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119830623
1-amino-N-(3-methylbutyl)cyclopentane-1-carboxamide
CID 60866848

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(cyanomethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(cyanomethyl)cyclohexane-1-carboxamide (CID 11194684) is 1-amino-N-(cyanomethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(cyanomethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(cyanomethyl)cyclohexane-1-carboxamide is N#CCNC(=O)C1(N)CCCCC1.
What is the InChIKey of 1-amino-N-(cyanomethyl)cyclohexane-1-carboxamide?
The InChIKey is RUWBBBUXZRUXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-6-7-12-8(13)9(11)4-2-1-3-5-9/h1-5,7,11H2,(H,12,13).
What are the key properties of 1-amino-N-(cyanomethyl)cyclohexane-1-carboxamide?
1-amino-N-(cyanomethyl)cyclohexane-1-carboxamide has a molecular weight of 181.24 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(cyanomethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 11194684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).