2-amino-N-butyl-N,3-dimethylcyclohexane-1-carboxamide

C13H26N2O — CID 62781010

IUPAC2-amino-N-butyl-N,3-dimethylcyclohexane-1-carboxamide
SMILESCCCCN(C)C(=O)C1CCCC(C)C1N
InChIInChI=1S/C13H26N2O/c1-4-5-9-15(3)13(16)11-8-6-7-10(2)12(11)14/h10-12H,4-9,14H2,1-3H3
InChIKeyMQQCUYXOOYQFQW-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.01
Rot. Bonds4

About 2-amino-N-butyl-N,3-dimethylcyclohexane-1-carboxamide

2-amino-N-butyl-N,3-dimethylcyclohexane-1-carboxamide (PubChem CID 62781010) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-amino-N-butyl-N,3-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-butyl-N,3-dimethylcyclohexane-1-carboxamide
PubChem CID62781010
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-amino-N-butyl-N,3-dimethylcyclohexane-1-carboxamide
SMILESCCCCN(C)C(=O)C1CCCC(C)C1N
InChIInChI=1S/C13H26N2O/c1-4-5-9-15(3)13(16)11-8-6-7-10(2)12(11)14/h10-12H,4-9,14H2,1-3H3
InChIKeyMQQCUYXOOYQFQW-UHFFFAOYSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butyl-N,3-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-butyl-N,3-dimethylcyclohexane-1-carboxamide (CID 62781010) is 2-amino-N-butyl-N,3-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-butyl-N,3-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-butyl-N,3-dimethylcyclohexane-1-carboxamide is CCCCN(C)C(=O)C1CCCC(C)C1N.
What is the InChIKey of 2-amino-N-butyl-N,3-dimethylcyclohexane-1-carboxamide?
The InChIKey is MQQCUYXOOYQFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-5-9-15(3)13(16)11-8-6-7-10(2)12(11)14/h10-12H,4-9,14H2,1-3H3.
What are the key properties of 2-amino-N-butyl-N,3-dimethylcyclohexane-1-carboxamide?
2-amino-N-butyl-N,3-dimethylcyclohexane-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butyl-N,3-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 62781010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).