phenyl N-[[1-(aminomethyl)cyclopentyl]methyl]carbamate

C14H20N2O2 — CID 113295201

IUPACphenyl N-[[1-(aminomethyl)cyclopentyl]methyl]carbamate
SMILESNCC1(CNC(=O)Oc2ccccc2)CCCC1
InChIInChI=1S/C14H20N2O2/c15-10-14(8-4-5-9-14)11-16-13(17)18-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11,15H2,(H,16,17)
InChIKeyPMYUDVJDZQOBAN-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.29
Rot. Bonds4

About phenyl N-[[1-(aminomethyl)cyclopentyl]methyl]carbamate

phenyl N-[[1-(aminomethyl)cyclopentyl]methyl]carbamate (PubChem CID 113295201) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is phenyl N-[[1-(aminomethyl)cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Namephenyl N-[[1-(aminomethyl)cyclopentyl]methyl]carbamate
PubChem CID113295201
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namephenyl N-[[1-(aminomethyl)cyclopentyl]methyl]carbamate
SMILESNCC1(CNC(=O)Oc2ccccc2)CCCC1
InChIInChI=1S/C14H20N2O2/c15-10-14(8-4-5-9-14)11-16-13(17)18-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11,15H2,(H,16,17)
InChIKeyPMYUDVJDZQOBAN-UHFFFAOYSA-N
XLogP2.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl N-[(1-hydroxycyclohexyl)methyl]carbamate
CID 65110390
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 103970193
phenyl N-[1-(hydroxymethyl)cyclopentyl]carbamate
CID 62521229
2-[1-(aminomethyl)cyclohexyl]-N-(2-phenoxyethyl)acetamide
CID 104678055
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-(3-methylphenoxy)propanamide
CID 115365510
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylbutanamide
CID 103970144
[1-(aminomethyl)cyclopropyl]methylcarbamic acid
CID 89477777
N-[[1-(aminomethyl)cyclohexyl]methyl]aniline
CID 115438130
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide
CID 115365539
1-[[1-(aminomethyl)cyclohexyl]methyl]-3-(2-methoxyphenyl)urea
CID 103970292
phenyl N-(2-aminobutyl)carbamate
CID 63732215
phenyl N-(1-methylcyclodecyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of phenyl N-[[1-(aminomethyl)cyclopentyl]methyl]carbamate?
The IUPAC name of phenyl N-[[1-(aminomethyl)cyclopentyl]methyl]carbamate (CID 113295201) is phenyl N-[[1-(aminomethyl)cyclopentyl]methyl]carbamate.
What is the SMILES notation for phenyl N-[[1-(aminomethyl)cyclopentyl]methyl]carbamate?
The canonical SMILES for phenyl N-[[1-(aminomethyl)cyclopentyl]methyl]carbamate is NCC1(CNC(=O)Oc2ccccc2)CCCC1.
What is the InChIKey of phenyl N-[[1-(aminomethyl)cyclopentyl]methyl]carbamate?
The InChIKey is PMYUDVJDZQOBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-10-14(8-4-5-9-14)11-16-13(17)18-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11,15H2,(H,16,17).
What are the key properties of phenyl N-[[1-(aminomethyl)cyclopentyl]methyl]carbamate?
phenyl N-[[1-(aminomethyl)cyclopentyl]methyl]carbamate has a molecular weight of 248.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[[1-(aminomethyl)cyclopentyl]methyl]carbamate is sourced from PubChem (CID 113295201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).