(2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide;hydrochloride

C14H29ClN2O2 — CID 119801888

IUPAC(2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide;hydrochloride
SMILESCC1(CNC(=O)[C@@H](N)C(C)(C)C)CCCCC1O.Cl
InChIInChI=1S/C14H28N2O2.ClH/c1-13(2,3)11(15)12(18)16-9-14(4)8-6-5-7-10(14)17;/h10-11,17H,5-9,15H2,1-4H3,(H,16,18);1H/t10?,11-,14?;/m1./s1
InChIKeyJTWBSJZAZOKUAR-LSGWWYADSA-N
MW292.85 g/mol
LogP1.84
Rot. Bonds3

About (2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide;hydrochloride

(2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide;hydrochloride (PubChem CID 119801888) has the molecular formula C14H29ClN2O2 and a molecular weight of 292.85 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide;hydrochloride
PubChem CID119801888
Molecular FormulaC14H29ClN2O2
Molecular Weight292.85 g/mol
Exact Mass292.19
IUPAC Name(2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide;hydrochloride
SMILESCC1(CNC(=O)[C@@H](N)C(C)(C)C)CCCCC1O.Cl
InChIInChI=1S/C14H28N2O2.ClH/c1-13(2,3)11(15)12(18)16-9-14(4)8-6-5-7-10(14)17;/h10-11,17H,5-9,15H2,1-4H3,(H,16,18);1H/t10?,11-,14?;/m1./s1
InChIKeyJTWBSJZAZOKUAR-LSGWWYADSA-N
XLogP1.84
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide
CID 119801889
3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]butanamide;hydrochloride
CID 119801902
(2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119334023
2-amino-N-[(1-hydroxycyclopentyl)methyl]-3,3-dimethylbutanamide
CID 77210747
2-amino-N-[(1-hydroxycycloheptyl)methyl]-3,3-dimethylbutanamide
CID 77056764
3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-phenylpropanamide;hydrochloride
CID 119952000
(2S)-2-amino-3,3-dimethyl-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride
CID 119782236
(2S)-2-amino-3,3-dimethyl-N-[(2-methylthiolan-2-yl)methyl]butanamide;hydrochloride
CID 119809936
1-(2-cyclopropylethyl)-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea
CID 111722478
(2S)-2-amino-N-(cyclooctylmethyl)-3,3-dimethylbutanamide;hydrochloride
CID 119741871
2-amino-3,3-dimethyl-N-[(1-propylcyclopropyl)methyl]butanamide
CID 103827771
4,4-difluoro-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]cyclohexane-1-carboxamide
CID 124568326

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide;hydrochloride (CID 119801888) is (2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide;hydrochloride is CC1(CNC(=O)[C@@H](N)C(C)(C)C)CCCCC1O.Cl.
What is the InChIKey of (2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide;hydrochloride?
The InChIKey is JTWBSJZAZOKUAR-LSGWWYADSA-N. The full InChI is InChI=1S/C14H28N2O2.ClH/c1-13(2,3)11(15)12(18)16-9-14(4)8-6-5-7-10(14)17;/h10-11,17H,5-9,15H2,1-4H3,(H,16,18);1H/t10?,11-,14?;/m1./s1.
What are the key properties of (2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide;hydrochloride?
(2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide;hydrochloride has a molecular weight of 292.85 g/mol, XLogP of 1.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide;hydrochloride is sourced from PubChem (CID 119801888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).