2-amino-N-methyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide

C13H26N2O — CID 62775790

IUPAC2-amino-N-methyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide
SMILESCC(C)C(C)N(C)C(=O)C1CCCCC1N
InChIInChI=1S/C13H26N2O/c1-9(2)10(3)15(4)13(16)11-7-5-6-8-12(11)14/h9-12H,5-8,14H2,1-4H3
InChIKeyYMQVPRCLDAOREM-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.01
Rot. Bonds3

About 2-amino-N-methyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide

2-amino-N-methyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide (PubChem CID 62775790) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide
PubChem CID62775790
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-amino-N-methyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide
SMILESCC(C)C(C)N(C)C(=O)C1CCCCC1N
InChIInChI=1S/C13H26N2O/c1-9(2)10(3)15(4)13(16)11-7-5-6-8-12(11)14/h9-12H,5-8,14H2,1-4H3
InChIKeyYMQVPRCLDAOREM-UHFFFAOYSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

2-amino-N,3-dimethyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide
CID 62782688
2-amino-N,N-dimethylcyclopentane-1-carboxamide
CID 59215971
2-amino-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide
CID 62777186
2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide
CID 112659082
2-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 62776305
1-(2-aminocycloheptyl)-2-methylpropan-1-one
CID 116595078
cis-(1R,2S)-2-amino-N-methyl-N-propylcycloheptane-1-carboxamide
CID 97051119
2-amino-N-ethyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 64824092
N-methyl-N-(3-methylbutan-2-yl)azepane-2-carboxamide
CID 64562225
2-amino-N-(cyclohexylmethyl)-N-methylcyclopentane-1-carboxamide
CID 64822627
2-amino-N-methyl-N-(2-methylcyclohexyl)cyclopentane-1-carboxamide
CID 64822611
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide
CID 64824759

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-methyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide (CID 62775790) is 2-amino-N-methyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-methyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-methyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide is CC(C)C(C)N(C)C(=O)C1CCCCC1N.
What is the InChIKey of 2-amino-N-methyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide?
The InChIKey is YMQVPRCLDAOREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-9(2)10(3)15(4)13(16)11-7-5-6-8-12(11)14/h9-12H,5-8,14H2,1-4H3.
What are the key properties of 2-amino-N-methyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide?
2-amino-N-methyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 62775790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).