[2-(aminomethyl)cyclopentyl] N-(4-cyanophenyl)carbamate

C14H17N3O2 — CID 79337148

IUPAC[2-(aminomethyl)cyclopentyl] N-(4-cyanophenyl)carbamate
SMILESN#Cc1ccc(NC(=O)OC2CCCC2CN)cc1
InChIInChI=1S/C14H17N3O2/c15-8-10-4-6-12(7-5-10)17-14(18)19-13-3-1-2-11(13)9-16/h4-7,11,13H,1-3,9,16H2,(H,17,18)
InChIKeyXRVZYBPGALENKA-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.23
Rot. Bonds3

About [2-(aminomethyl)cyclopentyl] N-(4-cyanophenyl)carbamate

[2-(aminomethyl)cyclopentyl] N-(4-cyanophenyl)carbamate (PubChem CID 79337148) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is [2-(aminomethyl)cyclopentyl] N-(4-cyanophenyl)carbamate.

Molecular Properties

Compound Name[2-(aminomethyl)cyclopentyl] N-(4-cyanophenyl)carbamate
PubChem CID79337148
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name[2-(aminomethyl)cyclopentyl] N-(4-cyanophenyl)carbamate
SMILESN#Cc1ccc(NC(=O)OC2CCCC2CN)cc1
InChIInChI=1S/C14H17N3O2/c15-8-10-4-6-12(7-5-10)17-14(18)19-13-3-1-2-11(13)9-16/h4-7,11,13H,1-3,9,16H2,(H,17,18)
InChIKeyXRVZYBPGALENKA-UHFFFAOYSA-N
XLogP2.23
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)cyclohexyl] N-(4-chlorophenyl)carbamate
CID 79337964
(2-aminocyclopentyl) N-(4-fluorophenyl)carbamate
CID 113395530
2-hydroxyethyl N-(4-cyanophenyl)carbamate
CID 79345947
(1-aminocycloheptyl)methyl N-(4-cyanophenyl)carbamate
CID 79341766
ethyl N-[4-(4-cyanoanilino)phenyl]carbamate
CID 112990074
[(1S,2R)-2-methylcyclohexyl] N-[4-[[4-[[(1S,2R)-2-methylcyclohexyl]oxycarbonylamino]phenyl]methyl]phenyl]carbamate
CID 124919110
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-cyanophenyl)acetamide
CID 114961132
[2-(aminomethyl)cyclopentyl] acetate
CID 174436226
N-(4-cyanophenyl)-2-cycloheptylacetamide
CID 115679897
benzyl N-(4-cyanophenyl)carbamate
CID 4935649
2-(2-aminoethoxy)-N-(4-cyanophenyl)acetamide
CID 79463677
tert-butyl N-[4-[[2-(aminomethyl)cyclopentyl]amino]phenyl]carbamate
CID 107240491

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)cyclopentyl] N-(4-cyanophenyl)carbamate?
The IUPAC name of [2-(aminomethyl)cyclopentyl] N-(4-cyanophenyl)carbamate (CID 79337148) is [2-(aminomethyl)cyclopentyl] N-(4-cyanophenyl)carbamate.
What is the SMILES notation for [2-(aminomethyl)cyclopentyl] N-(4-cyanophenyl)carbamate?
The canonical SMILES for [2-(aminomethyl)cyclopentyl] N-(4-cyanophenyl)carbamate is N#Cc1ccc(NC(=O)OC2CCCC2CN)cc1.
What is the InChIKey of [2-(aminomethyl)cyclopentyl] N-(4-cyanophenyl)carbamate?
The InChIKey is XRVZYBPGALENKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-8-10-4-6-12(7-5-10)17-14(18)19-13-3-1-2-11(13)9-16/h4-7,11,13H,1-3,9,16H2,(H,17,18).
What are the key properties of [2-(aminomethyl)cyclopentyl] N-(4-cyanophenyl)carbamate?
[2-(aminomethyl)cyclopentyl] N-(4-cyanophenyl)carbamate has a molecular weight of 259.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)cyclopentyl] N-(4-cyanophenyl)carbamate is sourced from PubChem (CID 79337148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).