3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]butanamide;hydrochloride

C12H25ClN2O2 — CID 119801902

IUPAC3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCC1(C)CCCCC1O.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-9(13)7-11(16)14-8-12(2)6-4-3-5-10(12)15;/h9-10,15H,3-8,13H2,1-2H3,(H,14,16);1H
InChIKeyXUBGTQMGEIDASP-UHFFFAOYSA-N
MW264.80 g/mol
LogP1.20
Rot. Bonds4

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

3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]butanamide;hydrochloride (PubChem CID 119801902) has the molecular formula C12H25ClN2O2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]butanamide;hydrochloride
PubChem CID119801902
Molecular FormulaC12H25ClN2O2
Molecular Weight264.80 g/mol
Exact Mass264.16
IUPAC Name3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCC1(C)CCCCC1O.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-9(13)7-11(16)14-8-12(2)6-4-3-5-10(12)15;/h9-10,15H,3-8,13H2,1-2H3,(H,14,16);1H
InChIKeyXUBGTQMGEIDASP-UHFFFAOYSA-N
XLogP1.20
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-phenylpropanamide;hydrochloride
CID 119952000
(2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119801888
(2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide
CID 119801889
(2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119334023
4,4-difluoro-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]cyclohexane-1-carboxamide
CID 124568326
N-[(2-hydroxy-1-methylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 119801909
1-[(3-aminobutanoylamino)methyl]cyclopentane-1-carboxamide
CID 119789655
N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-3-(4-methylphenyl)propanamide
CID 96526783
3-amino-N-[[1-(dimethylamino)cycloheptyl]methyl]butanamide
CID 119834021
1-(2-cyclopropylethyl)-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea
CID 111722478
(4R)-N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 124596585
2-(N-ethylanilino)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]acetamide
CID 71863517

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]butanamide;hydrochloride (CID 119801902) is 3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]butanamide;hydrochloride is CC(N)CC(=O)NCC1(C)CCCCC1O.Cl.
What is the InChIKey of 3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]butanamide;hydrochloride?
The InChIKey is XUBGTQMGEIDASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.ClH/c1-9(13)7-11(16)14-8-12(2)6-4-3-5-10(12)15;/h9-10,15H,3-8,13H2,1-2H3,(H,14,16);1H.
What are the key properties of 3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]butanamide;hydrochloride?
3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]butanamide;hydrochloride has a molecular weight of 264.80 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]butanamide;hydrochloride is sourced from PubChem (CID 119801902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).