2-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide

C15H30N2O — CID 63841135

IUPAC2-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide
SMILESCCC(CC)C(C)NC(=O)C1CCCC(C)C1N
InChIInChI=1S/C15H30N2O/c1-5-12(6-2)11(4)17-15(18)13-9-7-8-10(3)14(13)16/h10-14H,5-9,16H2,1-4H3,(H,17,18)
InChIKeyXZEMRZSHOWTAPJ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.69
Rot. Bonds5

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

2-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide (PubChem CID 63841135) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide
PubChem CID63841135
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide
SMILESCCC(CC)C(C)NC(=O)C1CCCC(C)C1N
InChIInChI=1S/C15H30N2O/c1-5-12(6-2)11(4)17-15(18)13-9-7-8-10(3)14(13)16/h10-14H,5-9,16H2,1-4H3,(H,17,18)
InChIKeyXZEMRZSHOWTAPJ-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-methyl-N-(2-methylpentan-3-yl)cyclohexane-1-carboxamide
CID 62783421
2-(3-ethylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63841768
2-amino-N-(4-methoxybutan-2-yl)-3-methylcyclohexane-1-carboxamide
CID 64603719
2-amino-3-methyl-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 62776500
2-amino-N,3-dimethylcyclohexane-1-carboxamide
CID 62776522
2-(3-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978580
N-(3-ethylpentan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 63843859
4-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide
CID 63840862
2-methyl-3-[(2-methylcyclopentanecarbonyl)amino]butanoic acid
CID 107175904
cis-(1S,2R)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 143706762
5-amino-2-methyl-N-(3-methylpentan-2-yl)cyclohexane-1-carboxamide
CID 62782261
2-amino-N-butan-2-yl-N-butyl-3-methylcyclohexane-1-carboxamide
CID 62781384

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide (CID 63841135) is 2-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide is CCC(CC)C(C)NC(=O)C1CCCC(C)C1N.
What is the InChIKey of 2-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide?
The InChIKey is XZEMRZSHOWTAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-12(6-2)11(4)17-15(18)13-9-7-8-10(3)14(13)16/h10-14H,5-9,16H2,1-4H3,(H,17,18).
What are the key properties of 2-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide?
2-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide has a molecular weight of 254.42 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 63841135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).