3-amino-2-methyl-N-[[1-(2-methylphenyl)cyclohexyl]methyl]butanamide;hydrochloride

C19H31ClN2O — CID 120500104

IUPAC3-amino-2-methyl-N-[[1-(2-methylphenyl)cyclohexyl]methyl]butanamide;hydrochloride
SMILESCc1ccccc1C1(CNC(=O)C(C)C(C)N)CCCCC1.Cl
InChIInChI=1S/C19H30N2O.ClH/c1-14-9-5-6-10-17(14)19(11-7-4-8-12-19)13-21-18(22)15(2)16(3)20;/h5-6,9-10,15-16H,4,7-8,11-13,20H2,1-3H3,(H,21,22);1H
InChIKeyCAMWEVGKPPJSAP-UHFFFAOYSA-N
MW338.92 g/mol
LogP3.72
Rot. Bonds5

About 3-amino-2-methyl-N-[[1-(2-methylphenyl)cyclohexyl]methyl]butanamide;hydrochloride

3-amino-2-methyl-N-[[1-(2-methylphenyl)cyclohexyl]methyl]butanamide;hydrochloride (PubChem CID 120500104) has the molecular formula C19H31ClN2O and a molecular weight of 338.92 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[[1-(2-methylphenyl)cyclohexyl]methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-[[1-(2-methylphenyl)cyclohexyl]methyl]butanamide;hydrochloride
PubChem CID120500104
Molecular FormulaC19H31ClN2O
Molecular Weight338.92 g/mol
Exact Mass338.21
IUPAC Name3-amino-2-methyl-N-[[1-(2-methylphenyl)cyclohexyl]methyl]butanamide;hydrochloride
SMILESCc1ccccc1C1(CNC(=O)C(C)C(C)N)CCCCC1.Cl
InChIInChI=1S/C19H30N2O.ClH/c1-14-9-5-6-10-17(14)19(11-7-4-8-12-19)13-21-18(22)15(2)16(3)20;/h5-6,9-10,15-16H,4,7-8,11-13,20H2,1-3H3,(H,21,22);1H
InChIKeyCAMWEVGKPPJSAP-UHFFFAOYSA-N
XLogP3.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.92
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
CID 119749804
1-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide
CID 119315839
N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-2-amine
CID 55195742
2-amino-2-(4-methylphenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide;hydrochloride
CID 120667836
(2R)-2-amino-N-[(1-phenylcycloheptyl)methyl]propanamide;hydrochloride
CID 119316389
3-amino-N-[(1-benzylcyclobutyl)methyl]-2-methylbutanamide;hydrochloride
CID 120502353
2-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]acetamide;hydrochloride
CID 119315817
3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]butanamide
CID 119749830
(2R)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 95308719
1-hydroxy-N-[[1-(2-methylphenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide
CID 110922755
N-methyl-1-[1-(2-methylphenyl)cycloheptyl]methanamine
CID 62596949
2-methyl-N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-1-amine
CID 63516825

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[[1-(2-methylphenyl)cyclohexyl]methyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-2-methyl-N-[[1-(2-methylphenyl)cyclohexyl]methyl]butanamide;hydrochloride (CID 120500104) is 3-amino-2-methyl-N-[[1-(2-methylphenyl)cyclohexyl]methyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-[[1-(2-methylphenyl)cyclohexyl]methyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-[[1-(2-methylphenyl)cyclohexyl]methyl]butanamide;hydrochloride is Cc1ccccc1C1(CNC(=O)C(C)C(C)N)CCCCC1.Cl.
What is the InChIKey of 3-amino-2-methyl-N-[[1-(2-methylphenyl)cyclohexyl]methyl]butanamide;hydrochloride?
The InChIKey is CAMWEVGKPPJSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O.ClH/c1-14-9-5-6-10-17(14)19(11-7-4-8-12-19)13-21-18(22)15(2)16(3)20;/h5-6,9-10,15-16H,4,7-8,11-13,20H2,1-3H3,(H,21,22);1H.
What are the key properties of 3-amino-2-methyl-N-[[1-(2-methylphenyl)cyclohexyl]methyl]butanamide;hydrochloride?
3-amino-2-methyl-N-[[1-(2-methylphenyl)cyclohexyl]methyl]butanamide;hydrochloride has a molecular weight of 338.92 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[[1-(2-methylphenyl)cyclohexyl]methyl]butanamide;hydrochloride is sourced from PubChem (CID 120500104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).