1-[3-(aminomethyl)phenyl]-3-(3-cyclopentylpropyl)urea

C16H25N3O — CID 106016510

IUPAC1-[3-(aminomethyl)phenyl]-3-(3-cyclopentylpropyl)urea
SMILESNCc1cccc(NC(=O)NCCCC2CCCC2)c1
InChIInChI=1S/C16H25N3O/c17-12-14-7-3-9-15(11-14)19-16(20)18-10-4-8-13-5-1-2-6-13/h3,7,9,11,13H,1-2,4-6,8,10,12,17H2,(H2,18,19,20)
InChIKeyYVYWOGIRXYDSLF-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.24
Rot. Bonds6

About 1-[3-(aminomethyl)phenyl]-3-(3-cyclopentylpropyl)urea

1-[3-(aminomethyl)phenyl]-3-(3-cyclopentylpropyl)urea (PubChem CID 106016510) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-3-(3-cyclopentylpropyl)urea.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-3-(3-cyclopentylpropyl)urea
PubChem CID106016510
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[3-(aminomethyl)phenyl]-3-(3-cyclopentylpropyl)urea
SMILESNCc1cccc(NC(=O)NCCCC2CCCC2)c1
InChIInChI=1S/C16H25N3O/c17-12-14-7-3-9-15(11-14)19-16(20)18-10-4-8-13-5-1-2-6-13/h3,7,9,11,13H,1-2,4-6,8,10,12,17H2,(H2,18,19,20)
InChIKeyYVYWOGIRXYDSLF-UHFFFAOYSA-N
XLogP3.24
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(aminomethyl)phenyl]-3-(2-cyclohexylethyl)urea
CID 60916116
1-(3-cyclohexylpropyl)-3-phenylurea
CID 19835717
1-[3-(1-aminoethyl)phenyl]-3-(3-cyclopentylpropyl)urea
CID 106014699
1-[3-(aminomethyl)phenyl]-3-(5,5,5-trifluoropentyl)urea
CID 115521151
cyclopentyl N-[3-(aminomethyl)phenyl]carbamate
CID 43309315
1-[3-(aminomethyl)phenyl]-3-(2-ethylcyclohexyl)urea
CID 61468180
1-[3-(aminomethyl)phenyl]-3-phenylurea;hydrochloride
CID 47003161
(2S)-N-(3-cyclopentylpropyl)-2-[(3-phenoxyphenyl)carbamoylamino]-3-phenylpropanamide
CID 58843180
N-[3-(aminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride
CID 155822223
1-[3-(3-aminopropyl)phenyl]-3-butylurea
CID 113397957
2-[3-(cyclobutylmethylcarbamoylamino)phenyl]acetic acid
CID 65345766
3-[3-(4-cyclopentylbutyl)phenyl]-1,1-dimethylurea
CID 86029500

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-3-(3-cyclopentylpropyl)urea?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-3-(3-cyclopentylpropyl)urea (CID 106016510) is 1-[3-(aminomethyl)phenyl]-3-(3-cyclopentylpropyl)urea.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-3-(3-cyclopentylpropyl)urea?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-3-(3-cyclopentylpropyl)urea is NCc1cccc(NC(=O)NCCCC2CCCC2)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-3-(3-cyclopentylpropyl)urea?
The InChIKey is YVYWOGIRXYDSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c17-12-14-7-3-9-15(11-14)19-16(20)18-10-4-8-13-5-1-2-6-13/h3,7,9,11,13H,1-2,4-6,8,10,12,17H2,(H2,18,19,20).
What are the key properties of 1-[3-(aminomethyl)phenyl]-3-(3-cyclopentylpropyl)urea?
1-[3-(aminomethyl)phenyl]-3-(3-cyclopentylpropyl)urea has a molecular weight of 275.40 g/mol, XLogP of 3.24, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-3-(3-cyclopentylpropyl)urea is sourced from PubChem (CID 106016510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).