cyclopentyl N-[3-(aminomethyl)phenyl]carbamate

C13H18N2O2 — CID 43309315

IUPACcyclopentyl N-[3-(aminomethyl)phenyl]carbamate
SMILESNCc1cccc(NC(=O)OC2CCCC2)c1
InChIInChI=1S/C13H18N2O2/c14-9-10-4-3-5-11(8-10)15-13(16)17-12-6-1-2-7-12/h3-5,8,12H,1-2,6-7,9,14H2,(H,15,16)
InChIKeyYKBDCVHNCXMQGB-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.64
Rot. Bonds3

About cyclopentyl N-[3-(aminomethyl)phenyl]carbamate

cyclopentyl N-[3-(aminomethyl)phenyl]carbamate (PubChem CID 43309315) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is cyclopentyl N-[3-(aminomethyl)phenyl]carbamate.

Molecular Properties

Compound Namecyclopentyl N-[3-(aminomethyl)phenyl]carbamate
PubChem CID43309315
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Namecyclopentyl N-[3-(aminomethyl)phenyl]carbamate
SMILESNCc1cccc(NC(=O)OC2CCCC2)c1
InChIInChI=1S/C13H18N2O2/c14-9-10-4-3-5-11(8-10)15-13(16)17-12-6-1-2-7-12/h3-5,8,12H,1-2,6-7,9,14H2,(H,15,16)
InChIKeyYKBDCVHNCXMQGB-UHFFFAOYSA-N
XLogP2.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl N-[3-(aminomethyl)phenyl]carbamate
CID 62139708
N-[3-(aminomethyl)phenyl]-3-cyclobutyloxypropanamide
CID 55041403
2-amino-N-[3-(cyclohexyloxymethyl)phenyl]acetamide;hydrochloride
CID 119306238
N-[3-(aminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride
CID 155822223
propyl N-[3-(aminomethyl)phenyl]carbamate
CID 43309364
N-[3-(aminomethyl)phenyl]-2-[cyclohexyl(methyl)amino]acetamide
CID 16782283
1-[3-(aminomethyl)phenyl]-3-(2-cyclohexylethyl)urea
CID 60916116
N-[3-(aminomethyl)phenyl]-2-(2-methylpiperidin-1-yl)acetamide
CID 16779184
cyclopentyl N-(3,4-dichlorophenyl)carbamate
CID 5110802
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
cyclopentyl N-[2-(aminomethyl)-3-fluorophenyl]carbamate
CID 112738527
N-[3-(aminomethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide
CID 43628447

Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-[3-(aminomethyl)phenyl]carbamate?
The IUPAC name of cyclopentyl N-[3-(aminomethyl)phenyl]carbamate (CID 43309315) is cyclopentyl N-[3-(aminomethyl)phenyl]carbamate.
What is the SMILES notation for cyclopentyl N-[3-(aminomethyl)phenyl]carbamate?
The canonical SMILES for cyclopentyl N-[3-(aminomethyl)phenyl]carbamate is NCc1cccc(NC(=O)OC2CCCC2)c1.
What is the InChIKey of cyclopentyl N-[3-(aminomethyl)phenyl]carbamate?
The InChIKey is YKBDCVHNCXMQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-9-10-4-3-5-11(8-10)15-13(16)17-12-6-1-2-7-12/h3-5,8,12H,1-2,6-7,9,14H2,(H,15,16).
What are the key properties of cyclopentyl N-[3-(aminomethyl)phenyl]carbamate?
cyclopentyl N-[3-(aminomethyl)phenyl]carbamate has a molecular weight of 234.30 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl N-[3-(aminomethyl)phenyl]carbamate is sourced from PubChem (CID 43309315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).