(2S)-2-amino-3,3-dimethyl-N-(4-methylcyclohexyl)butanamide;hydrochloride

C13H27ClN2O — CID 119779394

IUPAC(2S)-2-amino-3,3-dimethyl-N-(4-methylcyclohexyl)butanamide;hydrochloride
SMILESCC1CCC(NC(=O)[C@@H](N)C(C)(C)C)CC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-9-5-7-10(8-6-9)15-12(16)11(14)13(2,3)4;/h9-11H,5-8,14H2,1-4H3,(H,15,16);1H/t9?,10?,11-;/m1./s1
InChIKeyBTDKPPGXPUDTMZ-XMGSAWMJSA-N
MW262.82 g/mol
LogP2.48
Rot. Bonds2

About (2S)-2-amino-3,3-dimethyl-N-(4-methylcyclohexyl)butanamide;hydrochloride

(2S)-2-amino-3,3-dimethyl-N-(4-methylcyclohexyl)butanamide;hydrochloride (PubChem CID 119779394) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-(4-methylcyclohexyl)butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-(4-methylcyclohexyl)butanamide;hydrochloride
PubChem CID119779394
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-(4-methylcyclohexyl)butanamide;hydrochloride
SMILESCC1CCC(NC(=O)[C@@H](N)C(C)(C)C)CC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-9-5-7-10(8-6-9)15-12(16)11(14)13(2,3)4;/h9-11H,5-8,14H2,1-4H3,(H,15,16);1H/t9?,10?,11-;/m1./s1
InChIKeyBTDKPPGXPUDTMZ-XMGSAWMJSA-N
XLogP2.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-cyclopropyl-3,3-dimethylbutanamide;hydrochloride
CID 66951838
(2S)-2-amino-3,3-dimethyl-N-(4-propan-2-ylcyclohexyl)butanamide
CID 119812015
(2R)-2-amino-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylbutanamide
CID 112753369
(2S)-2-amino-3,3-dimethyl-N-(thian-4-yl)butanamide
CID 103810218
(2R)-2-amino-3,3-dimethyl-N-(1-oxothian-4-yl)butanamide
CID 104864652
N-(1-acetylpiperidin-4-yl)-2-amino-3,3-dimethylbutanamide
CID 68920493
(2R)-2-amino-3,3-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]butanamide
CID 103928588
ethyl 4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]cyclohexane-1-carboxylate;hydrochloride
CID 119738203
2-amino-3,3-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 76887361
2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 76887363
(2R)-2-amino-N-(2,3-dimethylcyclopentyl)-3,3-dimethylbutanamide
CID 103930053
(2R)-2-amino-3,3-dimethyl-N-(thiolan-3-yl)butanamide
CID 103063073

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(4-methylcyclohexyl)butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(4-methylcyclohexyl)butanamide;hydrochloride (CID 119779394) is (2S)-2-amino-3,3-dimethyl-N-(4-methylcyclohexyl)butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-(4-methylcyclohexyl)butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-(4-methylcyclohexyl)butanamide;hydrochloride is CC1CCC(NC(=O)[C@@H](N)C(C)(C)C)CC1.Cl.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-(4-methylcyclohexyl)butanamide;hydrochloride?
The InChIKey is BTDKPPGXPUDTMZ-XMGSAWMJSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-9-5-7-10(8-6-9)15-12(16)11(14)13(2,3)4;/h9-11H,5-8,14H2,1-4H3,(H,15,16);1H/t9?,10?,11-;/m1./s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-(4-methylcyclohexyl)butanamide;hydrochloride?
(2S)-2-amino-3,3-dimethyl-N-(4-methylcyclohexyl)butanamide;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-(4-methylcyclohexyl)butanamide;hydrochloride is sourced from PubChem (CID 119779394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).