3-amino-N-butylcyclohexane-1-carboxamide

C11H22N2O — CID 62778073

IUPAC3-amino-N-butylcyclohexane-1-carboxamide
SMILESCCCCNC(=O)C1CCCC(N)C1
InChIInChI=1S/C11H22N2O/c1-2-3-7-13-11(14)9-5-4-6-10(12)8-9/h9-10H,2-8,12H2,1H3,(H,13,14)
InChIKeyUVLBMGJVOVSTTD-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.42
Rot. Bonds4

About 3-amino-N-butylcyclohexane-1-carboxamide

3-amino-N-butylcyclohexane-1-carboxamide (PubChem CID 62778073) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-amino-N-butylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-butylcyclohexane-1-carboxamide
PubChem CID62778073
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-amino-N-butylcyclohexane-1-carboxamide
SMILESCCCCNC(=O)C1CCCC(N)C1
InChIInChI=1S/C11H22N2O/c1-2-3-7-13-11(14)9-5-4-6-10(12)8-9/h9-10H,2-8,12H2,1H3,(H,13,14)
InChIKeyUVLBMGJVOVSTTD-UHFFFAOYSA-N
XLogP1.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-pentylcyclohexane-1-carboxamide
CID 62775416
N-(3-acetamidopropyl)-3-aminocyclohexane-1-carboxamide
CID 119725928
3-amino-N-[3-(dipropylamino)propyl]cyclohexane-1-carboxamide
CID 119861214
3-amino-N-[3-(dipropylamino)propyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119861213
3-amino-N-(4-aminobutyl)cyclohexane-1-carboxamide
CID 63046447
3-amino-N-(4-ethoxybutyl)cyclohexane-1-carboxamide
CID 119722404
3-amino-N-(3-methylsulfanylpropyl)cyclohexane-1-carboxamide;hydrochloride
CID 119706929
3-amino-N-[4-(diethylamino)butyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119852537
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119687746
methyl 4-[(3-aminocyclohexanecarbonyl)amino]butanoate;hydrochloride
CID 119684755
3-amino-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclohexane-1-carboxamide
CID 119902026
1-[(3-aminocyclohexanecarbonyl)amino]-N-butylcyclohexane-1-carboxamide
CID 119767222

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butylcyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-butylcyclohexane-1-carboxamide (CID 62778073) is 3-amino-N-butylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-butylcyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-butylcyclohexane-1-carboxamide is CCCCNC(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-butylcyclohexane-1-carboxamide?
The InChIKey is UVLBMGJVOVSTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-3-7-13-11(14)9-5-4-6-10(12)8-9/h9-10H,2-8,12H2,1H3,(H,13,14).
What are the key properties of 3-amino-N-butylcyclohexane-1-carboxamide?
3-amino-N-butylcyclohexane-1-carboxamide has a molecular weight of 198.31 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butylcyclohexane-1-carboxamide is sourced from PubChem (CID 62778073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).