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

C13H19N3O — CID 117338851

IUPAC[3-[1-(aminomethyl)cyclopentyl]phenyl]urea
SMILESNCC1(c2cccc(NC(N)=O)c2)CCCC1
InChIInChI=1S/C13H19N3O/c14-9-13(6-1-2-7-13)10-4-3-5-11(8-10)16-12(15)17/h3-5,8H,1-2,6-7,9,14H2,(H3,15,16,17)
InChIKeyVVCZRNOVIHPBNT-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.95
Rot. Bonds3

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

[3-[1-(aminomethyl)cyclopentyl]phenyl]urea (PubChem CID 117338851) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is [3-[1-(aminomethyl)cyclopentyl]phenyl]urea.

Molecular Properties

Compound Name[3-[1-(aminomethyl)cyclopentyl]phenyl]urea
PubChem CID117338851
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name[3-[1-(aminomethyl)cyclopentyl]phenyl]urea
SMILESNCC1(c2cccc(NC(N)=O)c2)CCCC1
InChIInChI=1S/C13H19N3O/c14-9-13(6-1-2-7-13)10-4-3-5-11(8-10)16-12(15)17/h3-5,8H,1-2,6-7,9,14H2,(H3,15,16,17)
InChIKeyVVCZRNOVIHPBNT-UHFFFAOYSA-N
XLogP1.95
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[1-(aminomethyl)cyclopentyl]phenyl]urea?
The IUPAC name of [3-[1-(aminomethyl)cyclopentyl]phenyl]urea (CID 117338851) is [3-[1-(aminomethyl)cyclopentyl]phenyl]urea.
What is the SMILES notation for [3-[1-(aminomethyl)cyclopentyl]phenyl]urea?
The canonical SMILES for [3-[1-(aminomethyl)cyclopentyl]phenyl]urea is NCC1(c2cccc(NC(N)=O)c2)CCCC1.
What is the InChIKey of [3-[1-(aminomethyl)cyclopentyl]phenyl]urea?
The InChIKey is VVCZRNOVIHPBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-9-13(6-1-2-7-13)10-4-3-5-11(8-10)16-12(15)17/h3-5,8H,1-2,6-7,9,14H2,(H3,15,16,17).
What are the key properties of [3-[1-(aminomethyl)cyclopentyl]phenyl]urea?
[3-[1-(aminomethyl)cyclopentyl]phenyl]urea has a molecular weight of 233.31 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(aminomethyl)cyclopentyl]phenyl]urea is sourced from PubChem (CID 117338851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).