2-amino-N-(4-methoxybutan-2-yl)-3-methylcyclohexane-1-carboxamide

C13H26N2O2 — CID 64603719

IUPAC2-amino-N-(4-methoxybutan-2-yl)-3-methylcyclohexane-1-carboxamide
SMILESCOCCC(C)NC(=O)C1CCCC(C)C1N
InChIInChI=1S/C13H26N2O2/c1-9-5-4-6-11(12(9)14)13(16)15-10(2)7-8-17-3/h9-12H,4-8,14H2,1-3H3,(H,15,16)
InChIKeyGCFLMTUITDECPA-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.29
Rot. Bonds5

About 2-amino-N-(4-methoxybutan-2-yl)-3-methylcyclohexane-1-carboxamide

2-amino-N-(4-methoxybutan-2-yl)-3-methylcyclohexane-1-carboxamide (PubChem CID 64603719) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-amino-N-(4-methoxybutan-2-yl)-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-methoxybutan-2-yl)-3-methylcyclohexane-1-carboxamide
PubChem CID64603719
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-amino-N-(4-methoxybutan-2-yl)-3-methylcyclohexane-1-carboxamide
SMILESCOCCC(C)NC(=O)C1CCCC(C)C1N
InChIInChI=1S/C13H26N2O2/c1-9-5-4-6-11(12(9)14)13(16)15-10(2)7-8-17-3/h9-12H,4-8,14H2,1-3H3,(H,15,16)
InChIKeyGCFLMTUITDECPA-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide
CID 64603110
5-amino-N-(4-methoxybutan-2-yl)-2-methylcyclohexane-1-carboxamide
CID 64603308
2-amino-3-methyl-N-(2-methylpentan-3-yl)cyclohexane-1-carboxamide
CID 62783421
2-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide
CID 63841135
3-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119765560
2-amino-3-methyl-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 62776500
2-(1-methoxypropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103977801
4-amino-N-(4-methoxybutan-2-yl)oxolane-3-carboxamide
CID 66237512
2-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 82960939
2-amino-N-(1-methoxypropan-2-yl)-N,3-dimethylcyclohexane-1-carboxamide
CID 62783255
2-amino-N,3-dimethylcyclohexane-1-carboxamide
CID 62776522
4-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid
CID 107175538

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methoxybutan-2-yl)-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-(4-methoxybutan-2-yl)-3-methylcyclohexane-1-carboxamide (CID 64603719) is 2-amino-N-(4-methoxybutan-2-yl)-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(4-methoxybutan-2-yl)-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-(4-methoxybutan-2-yl)-3-methylcyclohexane-1-carboxamide is COCCC(C)NC(=O)C1CCCC(C)C1N.
What is the InChIKey of 2-amino-N-(4-methoxybutan-2-yl)-3-methylcyclohexane-1-carboxamide?
The InChIKey is GCFLMTUITDECPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-9-5-4-6-11(12(9)14)13(16)15-10(2)7-8-17-3/h9-12H,4-8,14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-N-(4-methoxybutan-2-yl)-3-methylcyclohexane-1-carboxamide?
2-amino-N-(4-methoxybutan-2-yl)-3-methylcyclohexane-1-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methoxybutan-2-yl)-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 64603719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).