2-amino-N-(3-ethylcyclohexyl)-4-methylpentanamide

C14H28N2O — CID 64750376

IUPAC2-amino-N-(3-ethylcyclohexyl)-4-methylpentanamide
SMILESCCC1CCCC(NC(=O)C(N)CC(C)C)C1
InChIInChI=1S/C14H28N2O/c1-4-11-6-5-7-12(9-11)16-14(17)13(15)8-10(2)3/h10-13H,4-9,15H2,1-3H3,(H,16,17)
InChIKeyJXFVDQFVSGLSII-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.44
Rot. Bonds5

About 2-amino-N-(3-ethylcyclohexyl)-4-methylpentanamide

2-amino-N-(3-ethylcyclohexyl)-4-methylpentanamide (PubChem CID 64750376) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-amino-N-(3-ethylcyclohexyl)-4-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(3-ethylcyclohexyl)-4-methylpentanamide
PubChem CID64750376
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-amino-N-(3-ethylcyclohexyl)-4-methylpentanamide
SMILESCCC1CCCC(NC(=O)C(N)CC(C)C)C1
InChIInChI=1S/C14H28N2O/c1-4-11-6-5-7-12(9-11)16-14(17)13(15)8-10(2)3/h10-13H,4-9,15H2,1-3H3,(H,16,17)
InChIKeyJXFVDQFVSGLSII-UHFFFAOYSA-N
XLogP2.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(3-ethylcyclohexyl)pentanamide;hydrochloride
CID 119329059
2-amino-N-(3-ethylcyclohexyl)-3-methoxypropanamide;hydrochloride
CID 120990597
3-[(2-amino-4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid
CID 55147492
(2S)-2-amino-N-[3-(dimethylamino)cyclohexyl]-4-methylpentanamide;dihydrochloride
CID 119889118
2-amino-N-(3-ethylcyclohexyl)-2-(oxan-4-yl)acetamide
CID 120794016
(2S)-2-amino-N-(3-ethylcyclohexyl)-3-phenylpropanamide
CID 64747832
cis-(1R,3S)-3-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclopentane-1-carboxylic acid
CID 114173473
(2S)-2-amino-4-methyl-N-(3-methylsulfanylcyclopentyl)pentanamide
CID 103812526
2-amino-4-methyl-N-(oxan-4-yl)pentanamide
CID 43610149
(2S)-2-amino-4-methyl-N-(2-methylcyclopentyl)pentanamide
CID 63281509
(2S)-2-amino-N-(3-ethylcyclohexyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119957507
4-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
CID 80541030

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-ethylcyclohexyl)-4-methylpentanamide?
The IUPAC name of 2-amino-N-(3-ethylcyclohexyl)-4-methylpentanamide (CID 64750376) is 2-amino-N-(3-ethylcyclohexyl)-4-methylpentanamide.
What is the SMILES notation for 2-amino-N-(3-ethylcyclohexyl)-4-methylpentanamide?
The canonical SMILES for 2-amino-N-(3-ethylcyclohexyl)-4-methylpentanamide is CCC1CCCC(NC(=O)C(N)CC(C)C)C1.
What is the InChIKey of 2-amino-N-(3-ethylcyclohexyl)-4-methylpentanamide?
The InChIKey is JXFVDQFVSGLSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-11-6-5-7-12(9-11)16-14(17)13(15)8-10(2)3/h10-13H,4-9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-N-(3-ethylcyclohexyl)-4-methylpentanamide?
2-amino-N-(3-ethylcyclohexyl)-4-methylpentanamide has a molecular weight of 240.39 g/mol, XLogP of 2.44, 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-ethylcyclohexyl)-4-methylpentanamide is sourced from PubChem (CID 64750376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).