N-[2-(aminomethyl)cyclohexyl]-4-methyl-3-phenylpentanamide;hydrochloride

C19H31ClN2O — CID 119609450

IUPACN-[2-(aminomethyl)cyclohexyl]-4-methyl-3-phenylpentanamide;hydrochloride
SMILESCC(C)C(CC(=O)NC1CCCCC1CN)c1ccccc1.Cl
InChIInChI=1S/C19H30N2O.ClH/c1-14(2)17(15-8-4-3-5-9-15)12-19(22)21-18-11-7-6-10-16(18)13-20;/h3-5,8-9,14,16-18H,6-7,10-13,20H2,1-2H3,(H,21,22);1H
InChIKeyJLMXMVKSUZMHOC-UHFFFAOYSA-N
MW338.92 g/mol
LogP3.87
Rot. Bonds6

About N-[2-(aminomethyl)cyclohexyl]-4-methyl-3-phenylpentanamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-4-methyl-3-phenylpentanamide;hydrochloride (PubChem CID 119609450) has the molecular formula C19H31ClN2O and a molecular weight of 338.92 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-4-methyl-3-phenylpentanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-4-methyl-3-phenylpentanamide;hydrochloride
PubChem CID119609450
Molecular FormulaC19H31ClN2O
Molecular Weight338.92 g/mol
Exact Mass338.21
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-4-methyl-3-phenylpentanamide;hydrochloride
SMILESCC(C)C(CC(=O)NC1CCCCC1CN)c1ccccc1.Cl
InChIInChI=1S/C19H30N2O.ClH/c1-14(2)17(15-8-4-3-5-9-15)12-19(22)21-18-11-7-6-10-16(18)13-20;/h3-5,8-9,14,16-18H,6-7,10-13,20H2,1-2H3,(H,21,22);1H
InChIKeyJLMXMVKSUZMHOC-UHFFFAOYSA-N
XLogP3.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.92
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(aminomethyl)cyclohexyl]-3-phenylpropanamide
CID 122080744
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N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-phenylbutanamide;hydrochloride
CID 119601012
N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride
CID 119602801
N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyphenyl)butanamide
CID 119609890
N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]benzamide;hydrochloride
CID 119611319
N-[2-(aminomethyl)cyclohexyl]-3-(4-ethylphenyl)butanamide
CID 119609944
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
3-amino-N-(2-benzylcyclohexyl)butanamide
CID 119773392
N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
CID 119601158
N-[2-(aminomethyl)cyclohexyl]-2-methylbenzamide;hydrochloride
CID 119609179
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CID 119601537

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-methyl-3-phenylpentanamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-methyl-3-phenylpentanamide;hydrochloride (CID 119609450) is N-[2-(aminomethyl)cyclohexyl]-4-methyl-3-phenylpentanamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-4-methyl-3-phenylpentanamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-4-methyl-3-phenylpentanamide;hydrochloride is CC(C)C(CC(=O)NC1CCCCC1CN)c1ccccc1.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-4-methyl-3-phenylpentanamide;hydrochloride?
The InChIKey is JLMXMVKSUZMHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O.ClH/c1-14(2)17(15-8-4-3-5-9-15)12-19(22)21-18-11-7-6-10-16(18)13-20;/h3-5,8-9,14,16-18H,6-7,10-13,20H2,1-2H3,(H,21,22);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-4-methyl-3-phenylpentanamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-4-methyl-3-phenylpentanamide;hydrochloride has a molecular weight of 338.92 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-4-methyl-3-phenylpentanamide;hydrochloride is sourced from PubChem (CID 119609450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).