1-(3-aminopropyl)-1-cyclopropyl-3-ethylurea

C9H19N3O — CID 43164872

IUPAC1-(3-aminopropyl)-1-cyclopropyl-3-ethylurea
SMILESCCNC(=O)N(CCCN)C1CC1
InChIInChI=1S/C9H19N3O/c1-2-11-9(13)12(7-3-6-10)8-4-5-8/h8H,2-7,10H2,1H3,(H,11,13)
InChIKeyYDRUFGPFFWIKOE-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.53
Rot. Bonds5

About 1-(3-aminopropyl)-1-cyclopropyl-3-ethylurea

1-(3-aminopropyl)-1-cyclopropyl-3-ethylurea (PubChem CID 43164872) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(3-aminopropyl)-1-cyclopropyl-3-ethylurea.

Molecular Properties

Compound Name1-(3-aminopropyl)-1-cyclopropyl-3-ethylurea
PubChem CID43164872
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-(3-aminopropyl)-1-cyclopropyl-3-ethylurea
SMILESCCNC(=O)N(CCCN)C1CC1
InChIInChI=1S/C9H19N3O/c1-2-11-9(13)12(7-3-6-10)8-4-5-8/h8H,2-7,10H2,1H3,(H,11,13)
InChIKeyYDRUFGPFFWIKOE-UHFFFAOYSA-N
XLogP0.53
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-aminopropyl)-1-cyclopropyl-3-ethylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-1-cyclopropyl-3-ethylurea?
The IUPAC name of 1-(3-aminopropyl)-1-cyclopropyl-3-ethylurea (CID 43164872) is 1-(3-aminopropyl)-1-cyclopropyl-3-ethylurea.
What is the SMILES notation for 1-(3-aminopropyl)-1-cyclopropyl-3-ethylurea?
The canonical SMILES for 1-(3-aminopropyl)-1-cyclopropyl-3-ethylurea is CCNC(=O)N(CCCN)C1CC1.
What is the InChIKey of 1-(3-aminopropyl)-1-cyclopropyl-3-ethylurea?
The InChIKey is YDRUFGPFFWIKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-2-11-9(13)12(7-3-6-10)8-4-5-8/h8H,2-7,10H2,1H3,(H,11,13).
What are the key properties of 1-(3-aminopropyl)-1-cyclopropyl-3-ethylurea?
1-(3-aminopropyl)-1-cyclopropyl-3-ethylurea has a molecular weight of 185.27 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-1-cyclopropyl-3-ethylurea is sourced from PubChem (CID 43164872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).