(2S)-2-amino-3-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide;hydrochloride

C14H29ClN2O — CID 119323315

IUPAC(2S)-2-amino-3-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide;hydrochloride
SMILESCC1CCCC(CCNC(=O)[C@@H](N)C(C)C)C1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-10(2)13(15)14(17)16-8-7-12-6-4-5-11(3)9-12;/h10-13H,4-9,15H2,1-3H3,(H,16,17);1H/t11?,12?,13-;/m0./s1
InChIKeyGTJGSAHVCUZWMX-OIIXLESESA-N
MW276.85 g/mol
LogP2.72
Rot. Bonds5

About (2S)-2-amino-3-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide;hydrochloride

(2S)-2-amino-3-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide;hydrochloride (PubChem CID 119323315) has the molecular formula C14H29ClN2O and a molecular weight of 276.85 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide;hydrochloride
PubChem CID119323315
Molecular FormulaC14H29ClN2O
Molecular Weight276.85 g/mol
Exact Mass276.20
IUPAC Name(2S)-2-amino-3-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide;hydrochloride
SMILESCC1CCCC(CCNC(=O)[C@@H](N)C(C)C)C1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-10(2)13(15)14(17)16-8-7-12-6-4-5-11(3)9-12;/h10-13H,4-9,15H2,1-3H3,(H,16,17);1H/t11?,12?,13-;/m0./s1
InChIKeyGTJGSAHVCUZWMX-OIIXLESESA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.85
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[2-(3-methylcyclohexyl)ethyl]propanamide
CID 78966012
2-amino-3-methyl-N-[(3-methylcyclohexyl)methyl]butanamide
CID 103795901
(2R)-2-amino-N-(2-cyclohexylethyl)-3-methylbutanamide
CID 79012516
(2S)-2-amino-3-methyl-N-[2-[(3-methylcyclohexyl)methylamino]-2-oxoethyl]butanamide
CID 103884935
2-amino-N-[2-(3-methylcyclohexyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120793045
(2S)-2-amino-N-[2-(2-cyclopentylethylamino)-2-oxoethyl]-3-methylbutanamide
CID 82961987
(2R)-2-amino-N-(cyclobutylmethyl)-3-methylbutanamide
CID 79011849
2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride
CID 119865894
2-(methylamino)-N-[2-(3-methylcyclohexyl)ethyl]acetamide;hydrochloride
CID 119783122
1-methoxy-3-[2-[(1S,3S)-3-methylcyclohexyl]ethyl]urea
CID 95628739
(2S)-2-amino-N-(2-cyclobutylethyl)propanamide
CID 103797223
2-amino-3-methyl-N-(3-methylcycloheptyl)butanamide
CID 59458270

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide;hydrochloride (CID 119323315) is (2S)-2-amino-3-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide;hydrochloride is CC1CCCC(CCNC(=O)[C@@H](N)C(C)C)C1.Cl.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide;hydrochloride?
The InChIKey is GTJGSAHVCUZWMX-OIIXLESESA-N. The full InChI is InChI=1S/C14H28N2O.ClH/c1-10(2)13(15)14(17)16-8-7-12-6-4-5-11(3)9-12;/h10-13H,4-9,15H2,1-3H3,(H,16,17);1H/t11?,12?,13-;/m0./s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide;hydrochloride?
(2S)-2-amino-3-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide;hydrochloride has a molecular weight of 276.85 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide;hydrochloride is sourced from PubChem (CID 119323315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).