(2R)-2-amino-N-(2-cyclohexylethyl)-3-methylbutanamide

C13H26N2O — CID 79012516

IUPAC(2R)-2-amino-N-(2-cyclohexylethyl)-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)NCCC1CCCCC1
InChIInChI=1S/C13H26N2O/c1-10(2)12(14)13(16)15-9-8-11-6-4-3-5-7-11/h10-12H,3-9,14H2,1-2H3,(H,15,16)/t12-/m1/s1
InChIKeyAIQIAJOYDKLZGJ-GFCCVEGCSA-N
MW226.36 g/mol
LogP2.06
Rot. Bonds5

About (2R)-2-amino-N-(2-cyclohexylethyl)-3-methylbutanamide

(2R)-2-amino-N-(2-cyclohexylethyl)-3-methylbutanamide (PubChem CID 79012516) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-cyclohexylethyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-cyclohexylethyl)-3-methylbutanamide
PubChem CID79012516
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(2R)-2-amino-N-(2-cyclohexylethyl)-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)NCCC1CCCCC1
InChIInChI=1S/C13H26N2O/c1-10(2)12(14)13(16)15-9-8-11-6-4-3-5-7-11/h10-12H,3-9,14H2,1-2H3,(H,15,16)/t12-/m1/s1
InChIKeyAIQIAJOYDKLZGJ-GFCCVEGCSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[2-(2-cyclopentylethylamino)-2-oxoethyl]-3-methylbutanamide
CID 82961987
(2S)-2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 103814143
(2S)-2-amino-3-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide;hydrochloride
CID 119323315
2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride
CID 119865894
(2S)-2-amino-N-(2-cyclobutylethyl)propanamide
CID 103797223
(2S)-2-amino-N-(4-cyclohexylbutan-2-yl)-3-methylbutanamide
CID 119327911
(2S)-2-amino-N-(2-cyclohexylethyl)-3-hydroxypropanamide
CID 70364930
(2R)-2-amino-N-(cyclobutylmethyl)-3-methylbutanamide
CID 79011849
(2R)-2-amino-N-(2-cyclooctylethyl)-3-hydroxypropanamide;hydrochloride
CID 154912241
2-(2-cyclohexylethylcarbamoyl)-3-methylbutanoic acid
CID 115186283
2-amino-N-(2-cyclopentylethyl)-3-hydroxypropanamide
CID 115180115
3-amino-N-(2-cyclohexylethyl)butanamide;hydrochloride
CID 119725742

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-cyclohexylethyl)-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-(2-cyclohexylethyl)-3-methylbutanamide (CID 79012516) is (2R)-2-amino-N-(2-cyclohexylethyl)-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-cyclohexylethyl)-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(2-cyclohexylethyl)-3-methylbutanamide is CC(C)[C@@H](N)C(=O)NCCC1CCCCC1.
What is the InChIKey of (2R)-2-amino-N-(2-cyclohexylethyl)-3-methylbutanamide?
The InChIKey is AIQIAJOYDKLZGJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)12(14)13(16)15-9-8-11-6-4-3-5-7-11/h10-12H,3-9,14H2,1-2H3,(H,15,16)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-cyclohexylethyl)-3-methylbutanamide?
(2R)-2-amino-N-(2-cyclohexylethyl)-3-methylbutanamide has a molecular weight of 226.36 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-cyclohexylethyl)-3-methylbutanamide is sourced from PubChem (CID 79012516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).