1-(2-amino-1-cyclopentylethyl)-3-propylurea

C11H23N3O — CID 106737729

IUPAC1-(2-amino-1-cyclopentylethyl)-3-propylurea
SMILESCCCNC(=O)NC(CN)C1CCCC1
InChIInChI=1S/C11H23N3O/c1-2-7-13-11(15)14-10(8-12)9-5-3-4-6-9/h9-10H,2-8,12H2,1H3,(H2,13,14,15)
InChIKeyKODGDHVYBVYAGQ-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.21
Rot. Bonds5

About 1-(2-amino-1-cyclopentylethyl)-3-propylurea

1-(2-amino-1-cyclopentylethyl)-3-propylurea (PubChem CID 106737729) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(2-amino-1-cyclopentylethyl)-3-propylurea.

Molecular Properties

Compound Name1-(2-amino-1-cyclopentylethyl)-3-propylurea
PubChem CID106737729
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-(2-amino-1-cyclopentylethyl)-3-propylurea
SMILESCCCNC(=O)NC(CN)C1CCCC1
InChIInChI=1S/C11H23N3O/c1-2-7-13-11(15)14-10(8-12)9-5-3-4-6-9/h9-10H,2-8,12H2,1H3,(H2,13,14,15)
InChIKeyKODGDHVYBVYAGQ-UHFFFAOYSA-N
XLogP1.21
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1-cyclopentylethyl)-3-propylurea?
The IUPAC name of 1-(2-amino-1-cyclopentylethyl)-3-propylurea (CID 106737729) is 1-(2-amino-1-cyclopentylethyl)-3-propylurea.
What is the SMILES notation for 1-(2-amino-1-cyclopentylethyl)-3-propylurea?
The canonical SMILES for 1-(2-amino-1-cyclopentylethyl)-3-propylurea is CCCNC(=O)NC(CN)C1CCCC1.
What is the InChIKey of 1-(2-amino-1-cyclopentylethyl)-3-propylurea?
The InChIKey is KODGDHVYBVYAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-2-7-13-11(15)14-10(8-12)9-5-3-4-6-9/h9-10H,2-8,12H2,1H3,(H2,13,14,15).
What are the key properties of 1-(2-amino-1-cyclopentylethyl)-3-propylurea?
1-(2-amino-1-cyclopentylethyl)-3-propylurea has a molecular weight of 213.32 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1-cyclopentylethyl)-3-propylurea is sourced from PubChem (CID 106737729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).