4-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pentanamide;hydrochloride

C19H31ClN2O — CID 120560680

IUPAC4-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pentanamide;hydrochloride
SMILESCc1cccc(C2(CNC(=O)CCC(C)N)CCCCC2)c1.Cl
InChIInChI=1S/C19H30N2O.ClH/c1-15-7-6-8-17(13-15)19(11-4-3-5-12-19)14-21-18(22)10-9-16(2)20;/h6-8,13,16H,3-5,9-12,14,20H2,1-2H3,(H,21,22);1H
InChIKeyIWZRTYTZZOHKIU-UHFFFAOYSA-N
MW338.92 g/mol
LogP3.86
Rot. Bonds6

About 4-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pentanamide;hydrochloride

4-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pentanamide;hydrochloride (PubChem CID 120560680) has the molecular formula C19H31ClN2O and a molecular weight of 338.92 g/mol. Its IUPAC name is 4-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pentanamide;hydrochloride
PubChem CID120560680
Molecular FormulaC19H31ClN2O
Molecular Weight338.92 g/mol
Exact Mass338.21
IUPAC Name4-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pentanamide;hydrochloride
SMILESCc1cccc(C2(CNC(=O)CCC(C)N)CCCCC2)c1.Cl
InChIInChI=1S/C19H30N2O.ClH/c1-15-7-6-8-17(13-15)19(11-4-3-5-12-19)14-21-18(22)10-9-16(2)20;/h6-8,13,16H,3-5,9-12,14,20H2,1-2H3,(H,21,22);1H
InChIKeyIWZRTYTZZOHKIU-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]propanamide
CID 119295111
4-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pentanamide
CID 120561385
7-amino-N-[[1-(3-methylphenyl)cyclopentyl]methyl]heptanamide;hydrochloride
CID 119770559
4-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pentanamide;hydrochloride
CID 120561267
4-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]pentanamide;hydrochloride
CID 120559506
(2S)-2-amino-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119315991
4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
CID 120561735
4-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
CID 120561083
(2R)-2-(carbamoylamino)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]propanamide
CID 95326754
(2R)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide
CID 95322111
4-amino-N-[(4-phenyloxan-4-yl)methyl]pentanamide
CID 120560576
N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119770594

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pentanamide;hydrochloride (CID 120560680) is 4-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pentanamide;hydrochloride is Cc1cccc(C2(CNC(=O)CCC(C)N)CCCCC2)c1.Cl.
What is the InChIKey of 4-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pentanamide;hydrochloride?
The InChIKey is IWZRTYTZZOHKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O.ClH/c1-15-7-6-8-17(13-15)19(11-4-3-5-12-19)14-21-18(22)10-9-16(2)20;/h6-8,13,16H,3-5,9-12,14,20H2,1-2H3,(H,21,22);1H.
What are the key properties of 4-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pentanamide;hydrochloride?
4-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pentanamide;hydrochloride has a molecular weight of 338.92 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pentanamide;hydrochloride is sourced from PubChem (CID 120560680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).