1-amino-N-butylcyclohexane-1-carboxamide

C11H22N2O — CID 24690155

IUPAC1-amino-N-butylcyclohexane-1-carboxamide
SMILESCCCCNC(=O)C1(N)CCCCC1
InChIInChI=1S/C11H22N2O/c1-2-3-9-13-10(14)11(12)7-5-4-6-8-11/h2-9,12H2,1H3,(H,13,14)
InChIKeyZPPXVPIDPWAJOG-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.56
Rot. Bonds4

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

1-amino-N-butylcyclohexane-1-carboxamide (PubChem CID 24690155) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-amino-N-butylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-butylcyclohexane-1-carboxamide
PubChem CID24690155
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-amino-N-butylcyclohexane-1-carboxamide
SMILESCCCCNC(=O)C1(N)CCCCC1
InChIInChI=1S/C11H22N2O/c1-2-3-9-13-10(14)11(12)7-5-4-6-8-11/h2-9,12H2,1H3,(H,13,14)
InChIKeyZPPXVPIDPWAJOG-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
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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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-butylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-butylcyclohexane-1-carboxamide (CID 24690155) is 1-amino-N-butylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-butylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-butylcyclohexane-1-carboxamide is CCCCNC(=O)C1(N)CCCCC1.
What is the InChIKey of 1-amino-N-butylcyclohexane-1-carboxamide?
The InChIKey is ZPPXVPIDPWAJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-3-9-13-10(14)11(12)7-5-4-6-8-11/h2-9,12H2,1H3,(H,13,14).
What are the key properties of 1-amino-N-butylcyclohexane-1-carboxamide?
1-amino-N-butylcyclohexane-1-carboxamide has a molecular weight of 198.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-butylcyclohexane-1-carboxamide is sourced from PubChem (CID 24690155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).