[2-(aminomethyl)cyclopentyl]methyl N-(3-methylphenyl)carbamate

C15H22N2O2 — CID 79336958

IUPAC[2-(aminomethyl)cyclopentyl]methyl N-(3-methylphenyl)carbamate
SMILESCc1cccc(NC(=O)OCC2CCCC2CN)c1
InChIInChI=1S/C15H22N2O2/c1-11-4-2-7-14(8-11)17-15(18)19-10-13-6-3-5-12(13)9-16/h2,4,7-8,12-13H,3,5-6,9-10,16H2,1H3,(H,17,18)
InChIKeySNPMRPCKOHVOMT-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.92
Rot. Bonds4

About [2-(aminomethyl)cyclopentyl]methyl N-(3-methylphenyl)carbamate

[2-(aminomethyl)cyclopentyl]methyl N-(3-methylphenyl)carbamate (PubChem CID 79336958) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [2-(aminomethyl)cyclopentyl]methyl N-(3-methylphenyl)carbamate.

Molecular Properties

Compound Name[2-(aminomethyl)cyclopentyl]methyl N-(3-methylphenyl)carbamate
PubChem CID79336958
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[2-(aminomethyl)cyclopentyl]methyl N-(3-methylphenyl)carbamate
SMILESCc1cccc(NC(=O)OCC2CCCC2CN)c1
InChIInChI=1S/C15H22N2O2/c1-11-4-2-7-14(8-11)17-15(18)19-10-13-6-3-5-12(13)9-16/h2,4,7-8,12-13H,3,5-6,9-10,16H2,1H3,(H,17,18)
InChIKeySNPMRPCKOHVOMT-UHFFFAOYSA-N
XLogP2.92
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
CID 176596945
2-(methylamino)ethyl N-(3-methylphenyl)carbamate
CID 79338222
(4-aminocyclohexyl) N-(3-methylphenyl)carbamate
CID 79337441
2-(dimethylamino)ethyl N-(3-methylphenyl)carbamate
CID 44722441
3-amino-2,2-dimethyl-N-(3-methylphenyl)propanamide;hydrochloride
CID 119670425
(2-amino-2-ethylbutyl) N-(3-methylphenyl)carbamate
CID 79338375
1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-(3-methylphenyl)urea
CID 95634979
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
2-[(3-methylphenyl)carbamoyloxy]ethyl 2-methylprop-2-enoate
CID 164980144
N-(cyclobutylmethyl)-3-methylaniline
CID 65459852
N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-methylphenyl)oxamide
CID 109399042
N-[2-(aminomethyl)cyclopentyl]-2-(3-methylphenoxy)acetamide
CID 119603622

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)cyclopentyl]methyl N-(3-methylphenyl)carbamate?
The IUPAC name of [2-(aminomethyl)cyclopentyl]methyl N-(3-methylphenyl)carbamate (CID 79336958) is [2-(aminomethyl)cyclopentyl]methyl N-(3-methylphenyl)carbamate.
What is the SMILES notation for [2-(aminomethyl)cyclopentyl]methyl N-(3-methylphenyl)carbamate?
The canonical SMILES for [2-(aminomethyl)cyclopentyl]methyl N-(3-methylphenyl)carbamate is Cc1cccc(NC(=O)OCC2CCCC2CN)c1.
What is the InChIKey of [2-(aminomethyl)cyclopentyl]methyl N-(3-methylphenyl)carbamate?
The InChIKey is SNPMRPCKOHVOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-4-2-7-14(8-11)17-15(18)19-10-13-6-3-5-12(13)9-16/h2,4,7-8,12-13H,3,5-6,9-10,16H2,1H3,(H,17,18).
What are the key properties of [2-(aminomethyl)cyclopentyl]methyl N-(3-methylphenyl)carbamate?
[2-(aminomethyl)cyclopentyl]methyl N-(3-methylphenyl)carbamate has a molecular weight of 262.35 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)cyclopentyl]methyl N-(3-methylphenyl)carbamate is sourced from PubChem (CID 79336958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).