2-amino-N,N-dibutyl-5-methylcyclohexane-1-carboxamide

C16H32N2O — CID 65456425

IUPAC2-amino-N,N-dibutyl-5-methylcyclohexane-1-carboxamide
SMILESCCCCN(CCCC)C(=O)C1CC(C)CCC1N
InChIInChI=1S/C16H32N2O/c1-4-6-10-18(11-7-5-2)16(19)14-12-13(3)8-9-15(14)17/h13-15H,4-12,17H2,1-3H3
InChIKeyCMJRGSUNCOZHGN-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.18
Rot. Bonds7

About 2-amino-N,N-dibutyl-5-methylcyclohexane-1-carboxamide

2-amino-N,N-dibutyl-5-methylcyclohexane-1-carboxamide (PubChem CID 65456425) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-amino-N,N-dibutyl-5-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N,N-dibutyl-5-methylcyclohexane-1-carboxamide
PubChem CID65456425
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-amino-N,N-dibutyl-5-methylcyclohexane-1-carboxamide
SMILESCCCCN(CCCC)C(=O)C1CC(C)CCC1N
InChIInChI=1S/C16H32N2O/c1-4-6-10-18(11-7-5-2)16(19)14-12-13(3)8-9-15(14)17/h13-15H,4-12,17H2,1-3H3
InChIKeyCMJRGSUNCOZHGN-UHFFFAOYSA-N
XLogP3.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 65453779
2-amino-N-ethyl-5-methyl-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 65453771
2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-methylcyclohexane-1-carboxamide
CID 113468096
2-amino-N-cyclopentyl-N-ethyl-5-methylcyclohexane-1-carboxamide
CID 65455288
5-amino-N-butyl-N-(2-hydroxyethyl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706594
4-amino-N-butyl-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 62781326
2-amino-N-butyl-N-methylcyclopropane-1-carboxamide
CID 114995245
2-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 64822616
2-amino-N-butyl-N-(2-hydroxyethyl)-3-methylcyclohexane-1-carboxamide
CID 62782225
3-amino-N-butyl-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide
CID 55117107
2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-5-methylcyclohexane-1-carboxamide
CID 65453971
2-amino-N,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 65454721

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-dibutyl-5-methylcyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N,N-dibutyl-5-methylcyclohexane-1-carboxamide (CID 65456425) is 2-amino-N,N-dibutyl-5-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N,N-dibutyl-5-methylcyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N,N-dibutyl-5-methylcyclohexane-1-carboxamide is CCCCN(CCCC)C(=O)C1CC(C)CCC1N.
What is the InChIKey of 2-amino-N,N-dibutyl-5-methylcyclohexane-1-carboxamide?
The InChIKey is CMJRGSUNCOZHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-6-10-18(11-7-5-2)16(19)14-12-13(3)8-9-15(14)17/h13-15H,4-12,17H2,1-3H3.
What are the key properties of 2-amino-N,N-dibutyl-5-methylcyclohexane-1-carboxamide?
2-amino-N,N-dibutyl-5-methylcyclohexane-1-carboxamide has a molecular weight of 268.44 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-dibutyl-5-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 65456425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).