2-amino-5-methyl-N-pentan-3-ylcyclohexane-1-carboxamide

C13H26N2O — CID 65456041

IUPAC2-amino-5-methyl-N-pentan-3-ylcyclohexane-1-carboxamide
SMILESCCC(CC)NC(=O)C1CC(C)CCC1N
InChIInChI=1S/C13H26N2O/c1-4-10(5-2)15-13(16)11-8-9(3)6-7-12(11)14/h9-12H,4-8,14H2,1-3H3,(H,15,16)
InChIKeyHPTOVGZRCUENSX-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.05
Rot. Bonds4

About 2-amino-5-methyl-N-pentan-3-ylcyclohexane-1-carboxamide

2-amino-5-methyl-N-pentan-3-ylcyclohexane-1-carboxamide (PubChem CID 65456041) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-amino-5-methyl-N-pentan-3-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-5-methyl-N-pentan-3-ylcyclohexane-1-carboxamide
PubChem CID65456041
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-amino-5-methyl-N-pentan-3-ylcyclohexane-1-carboxamide
SMILESCCC(CC)NC(=O)C1CC(C)CCC1N
InChIInChI=1S/C13H26N2O/c1-4-10(5-2)15-13(16)11-8-9(3)6-7-12(11)14/h9-12H,4-8,14H2,1-3H3,(H,15,16)
InChIKeyHPTOVGZRCUENSX-UHFFFAOYSA-N
XLogP2.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-hexan-3-yl-5-methylcyclohexane-1-carboxamide
CID 65455479
2-amino-5-methyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 65455850
2-amino-5-methyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide
CID 65453766
2-amino-N-hexan-3-ylcyclopropane-1-carboxamide
CID 114995860
2-amino-N-(2-ethylcyclohexyl)-5-methylcyclohexane-1-carboxamide
CID 65454165
2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylcyclohexane-1-carboxamide
CID 83117542
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-5-methylcyclohexane-1-carboxamide
CID 65454343
trans-(1S,2S)-4-oxo-1-N,2-N-di(pentan-3-yl)cyclopentane-1,2-dicarboxamide
CID 96536972
2-amino-N-(3-ethylcyclohexyl)-5-methylcyclohexane-1-carboxamide
CID 65455115
2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-methylcyclohexane-1-carboxamide
CID 65456053
4-methyl-2-(1-sulfanylpropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 139938298
2-amino-5-methyl-N-[2-(3-methylbutoxy)ethyl]cyclohexane-1-carboxamide
CID 65454356

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-N-pentan-3-ylcyclohexane-1-carboxamide?
The IUPAC name of 2-amino-5-methyl-N-pentan-3-ylcyclohexane-1-carboxamide (CID 65456041) is 2-amino-5-methyl-N-pentan-3-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-5-methyl-N-pentan-3-ylcyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-5-methyl-N-pentan-3-ylcyclohexane-1-carboxamide is CCC(CC)NC(=O)C1CC(C)CCC1N.
What is the InChIKey of 2-amino-5-methyl-N-pentan-3-ylcyclohexane-1-carboxamide?
The InChIKey is HPTOVGZRCUENSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-10(5-2)15-13(16)11-8-9(3)6-7-12(11)14/h9-12H,4-8,14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-5-methyl-N-pentan-3-ylcyclohexane-1-carboxamide?
2-amino-5-methyl-N-pentan-3-ylcyclohexane-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-N-pentan-3-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 65456041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).