1-[2-(aminomethyl)cyclopentyl]-3-benzyl-1-methylurea

C15H23N3O — CID 107654169

IUPAC1-[2-(aminomethyl)cyclopentyl]-3-benzyl-1-methylurea
SMILESCN(C(=O)NCc1ccccc1)C1CCCC1CN
InChIInChI=1S/C15H23N3O/c1-18(14-9-5-8-13(14)10-16)15(19)17-11-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11,16H2,1H3,(H,17,19)
InChIKeyCYQKEWBCZMPKIY-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.96
Rot. Bonds4

About 1-[2-(aminomethyl)cyclopentyl]-3-benzyl-1-methylurea

1-[2-(aminomethyl)cyclopentyl]-3-benzyl-1-methylurea (PubChem CID 107654169) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[2-(aminomethyl)cyclopentyl]-3-benzyl-1-methylurea.

Molecular Properties

Compound Name1-[2-(aminomethyl)cyclopentyl]-3-benzyl-1-methylurea
PubChem CID107654169
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[2-(aminomethyl)cyclopentyl]-3-benzyl-1-methylurea
SMILESCN(C(=O)NCc1ccccc1)C1CCCC1CN
InChIInChI=1S/C15H23N3O/c1-18(14-9-5-8-13(14)10-16)15(19)17-11-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11,16H2,1H3,(H,17,19)
InChIKeyCYQKEWBCZMPKIY-UHFFFAOYSA-N
XLogP1.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[[methyl-(2-phenylcyclopentyl)carbamoyl]amino]methyl]benzoic acid
CID 122019905
1-(4-aminocyclohexyl)-3-benzyl-1-methylurea
CID 107652884
4-[[[[(1R,2R)-2-hydroxycyclopentyl]-methylcarbamoyl]amino]methyl]benzoic acid
CID 122020422
3-benzyl-1-hydroxy-1-methylurea
CID 22900753
3-benzyl-1-methyl-1-(oxan-4-yl)urea
CID 103717227
1-(2-amino-1-cyclopropylethyl)-3-benzyl-1-methylurea
CID 107654315
N-[2-(aminomethyl)cyclopentyl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide;hydrochloride
CID 119600623
N-[2-(aminomethyl)cyclohexyl]-1-cyclobutyl-N-methylpyrrole-2-carboxamide
CID 114610428
3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea
CID 44533095
N-[2-(aminomethyl)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107015942
methyl 2-[2-[[[2-(aminomethyl)cyclopentyl]-methylamino]methyl]phenyl]acetate
CID 115463073
N-[2-(aminomethyl)cyclopentyl]-2-bromo-N,5-dimethylbenzamide
CID 81112557

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)cyclopentyl]-3-benzyl-1-methylurea?
The IUPAC name of 1-[2-(aminomethyl)cyclopentyl]-3-benzyl-1-methylurea (CID 107654169) is 1-[2-(aminomethyl)cyclopentyl]-3-benzyl-1-methylurea.
What is the SMILES notation for 1-[2-(aminomethyl)cyclopentyl]-3-benzyl-1-methylurea?
The canonical SMILES for 1-[2-(aminomethyl)cyclopentyl]-3-benzyl-1-methylurea is CN(C(=O)NCc1ccccc1)C1CCCC1CN.
What is the InChIKey of 1-[2-(aminomethyl)cyclopentyl]-3-benzyl-1-methylurea?
The InChIKey is CYQKEWBCZMPKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18(14-9-5-8-13(14)10-16)15(19)17-11-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11,16H2,1H3,(H,17,19).
What are the key properties of 1-[2-(aminomethyl)cyclopentyl]-3-benzyl-1-methylurea?
1-[2-(aminomethyl)cyclopentyl]-3-benzyl-1-methylurea has a molecular weight of 261.37 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)cyclopentyl]-3-benzyl-1-methylurea is sourced from PubChem (CID 107654169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).