1-[1-(aminomethyl)cyclopentyl]-3-benzyl-1-propylurea

C17H27N3O — CID 107653329

IUPAC1-[1-(aminomethyl)cyclopentyl]-3-benzyl-1-propylurea
SMILESCCCN(C(=O)NCc1ccccc1)C1(CN)CCCC1
InChIInChI=1S/C17H27N3O/c1-2-12-20(17(14-18)10-6-7-11-17)16(21)19-13-15-8-4-3-5-9-15/h3-5,8-9H,2,6-7,10-14,18H2,1H3,(H,19,21)
InChIKeyWPQVOZWMZATSQU-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.88
Rot. Bonds6

About 1-[1-(aminomethyl)cyclopentyl]-3-benzyl-1-propylurea

1-[1-(aminomethyl)cyclopentyl]-3-benzyl-1-propylurea (PubChem CID 107653329) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclopentyl]-3-benzyl-1-propylurea.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclopentyl]-3-benzyl-1-propylurea
PubChem CID107653329
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-[1-(aminomethyl)cyclopentyl]-3-benzyl-1-propylurea
SMILESCCCN(C(=O)NCc1ccccc1)C1(CN)CCCC1
InChIInChI=1S/C17H27N3O/c1-2-12-20(17(14-18)10-6-7-11-17)16(21)19-13-15-8-4-3-5-9-15/h3-5,8-9H,2,6-7,10-14,18H2,1H3,(H,19,21)
InChIKeyWPQVOZWMZATSQU-UHFFFAOYSA-N
XLogP2.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)cyclopentyl]-3-cyclobutyl-1-propylurea
CID 116658167
1-(aminomethyl)-N-benzyl-N-propylcycloheptan-1-amine
CID 63480657
1-(2-aminophenyl)-3-benzyl-1-propylurea
CID 107653018
3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea
CID 44533095
N-(2-aminoethyl)-N-(benzylcarbamoyl)acetamide
CID 108871331
N-benzylacetamide;ethanamine
CID 22257034
3-benzyl-1-hydroxy-1-methylurea
CID 22900753
1-[2-(aminomethyl)-2-ethylbutyl]-3-benzylurea
CID 106251034
1-[2-(aminomethyl)cyclopentyl]-3-benzyl-1-methylurea
CID 107654169
1-(aminomethyl)-N-ethyl-N-(3-phenylpropyl)cyclopentan-1-amine
CID 62009540
N-benzyl-2-[ethyl(propyl)amino]acetamide
CID 142231835
tert-butyl N-(2-aminoethyl)-N-(benzylcarbamoyl)carbamate
CID 108871353

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclopentyl]-3-benzyl-1-propylurea?
The IUPAC name of 1-[1-(aminomethyl)cyclopentyl]-3-benzyl-1-propylurea (CID 107653329) is 1-[1-(aminomethyl)cyclopentyl]-3-benzyl-1-propylurea.
What is the SMILES notation for 1-[1-(aminomethyl)cyclopentyl]-3-benzyl-1-propylurea?
The canonical SMILES for 1-[1-(aminomethyl)cyclopentyl]-3-benzyl-1-propylurea is CCCN(C(=O)NCc1ccccc1)C1(CN)CCCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclopentyl]-3-benzyl-1-propylurea?
The InChIKey is WPQVOZWMZATSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-12-20(17(14-18)10-6-7-11-17)16(21)19-13-15-8-4-3-5-9-15/h3-5,8-9H,2,6-7,10-14,18H2,1H3,(H,19,21).
What are the key properties of 1-[1-(aminomethyl)cyclopentyl]-3-benzyl-1-propylurea?
1-[1-(aminomethyl)cyclopentyl]-3-benzyl-1-propylurea has a molecular weight of 289.42 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclopentyl]-3-benzyl-1-propylurea is sourced from PubChem (CID 107653329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).