4-amino-N-butyl-N-ethyl-3-methylcyclohexane-1-carboxamide

C14H28N2O — CID 62781326

IUPAC4-amino-N-butyl-N-ethyl-3-methylcyclohexane-1-carboxamide
SMILESCCCCN(CC)C(=O)C1CCC(N)C(C)C1
InChIInChI=1S/C14H28N2O/c1-4-6-9-16(5-2)14(17)12-7-8-13(15)11(3)10-12/h11-13H,4-10,15H2,1-3H3
InChIKeyKIDHSEPMDVOHQB-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.40
Rot. Bonds5

About 4-amino-N-butyl-N-ethyl-3-methylcyclohexane-1-carboxamide

4-amino-N-butyl-N-ethyl-3-methylcyclohexane-1-carboxamide (PubChem CID 62781326) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-amino-N-butyl-N-ethyl-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-butyl-N-ethyl-3-methylcyclohexane-1-carboxamide
PubChem CID62781326
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name4-amino-N-butyl-N-ethyl-3-methylcyclohexane-1-carboxamide
SMILESCCCCN(CC)C(=O)C1CCC(N)C(C)C1
InChIInChI=1S/C14H28N2O/c1-4-6-9-16(5-2)14(17)12-7-8-13(15)11(3)10-12/h11-13H,4-10,15H2,1-3H3
InChIKeyKIDHSEPMDVOHQB-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-butan-2-yl-N-butyl-3-methylcyclohexane-1-carboxamide
CID 62781228
3-amino-N-butyl-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide
CID 55117107
3-amino-N,N-diethyl-4-methylcyclohexane-1-carboxamide
CID 62777554
4-amino-N-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohexane-1-carboxamide
CID 62783394
3-[ethyl(3-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103551173
4-amino-N-[3-(dimethylamino)propyl]-N,3-dimethylcyclohexane-1-carboxamide
CID 55227956
2-amino-N,N-dibutyl-5-methylcyclohexane-1-carboxamide
CID 65456425
3-amino-N-ethyl-N-(2-methoxyethyl)-4-methylcyclohexane-1-carboxamide
CID 62782108
3-[3-(dimethylamino)propyl-ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 102995766
4-amino-N-butyl-3-methylcyclohexane-1-carboxamide
CID 62782491
3-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 66009798
4-amino-N,N-dipentylcyclohexane-1-carboxamide
CID 60947028

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-N-ethyl-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-butyl-N-ethyl-3-methylcyclohexane-1-carboxamide (CID 62781326) is 4-amino-N-butyl-N-ethyl-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-butyl-N-ethyl-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-butyl-N-ethyl-3-methylcyclohexane-1-carboxamide is CCCCN(CC)C(=O)C1CCC(N)C(C)C1.
What is the InChIKey of 4-amino-N-butyl-N-ethyl-3-methylcyclohexane-1-carboxamide?
The InChIKey is KIDHSEPMDVOHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-6-9-16(5-2)14(17)12-7-8-13(15)11(3)10-12/h11-13H,4-10,15H2,1-3H3.
What are the key properties of 4-amino-N-butyl-N-ethyl-3-methylcyclohexane-1-carboxamide?
4-amino-N-butyl-N-ethyl-3-methylcyclohexane-1-carboxamide has a molecular weight of 240.39 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-N-ethyl-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 62781326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).