1-(3-(1-Pyrrolidinyl)propyl)-3-ethylcarbodiimide

C10H19N3 — CID 10130232

IUPACN-ethyl-N'-(3-pyrrolidin-1-ylpropyl)methanediimine
SMILESCCN=C=NCCCN1CCCC1
InChIInChI=1S/C10H19N3/c1-2-11-10-12-6-5-9-13-7-3-4-8-13/h2-9H2,1H3
InChIKeyBEENTKNKPLFNKS-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.40
Rot. Bonds5

About 1-(3-(1-Pyrrolidinyl)propyl)-3-ethylcarbodiimide

1-(3-(1-Pyrrolidinyl)propyl)-3-ethylcarbodiimide (PubChem CID 10130232) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-ethyl-N'-(3-pyrrolidin-1-ylpropyl)methanediimine.

Molecular Properties

Compound Name1-(3-(1-Pyrrolidinyl)propyl)-3-ethylcarbodiimide
PubChem CID10130232
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-ethyl-N'-(3-pyrrolidin-1-ylpropyl)methanediimine
SMILESCCN=C=NCCCN1CCCC1
InChIInChI=1S/C10H19N3/c1-2-11-10-12-6-5-9-13-7-3-4-8-13/h2-9H2,1H3
InChIKeyBEENTKNKPLFNKS-UHFFFAOYSA-N
XLogP2.40
TPSA28.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity177

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(3-(1-Pyrrolidinyl)propyl)-3-ethylcarbodiimide 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-(1-Pyrrolidinyl)propyl)-3-ethylcarbodiimide?
The IUPAC name of 1-(3-(1-Pyrrolidinyl)propyl)-3-ethylcarbodiimide (CID 10130232) is N-ethyl-N'-(3-pyrrolidin-1-ylpropyl)methanediimine.
What is the SMILES notation for 1-(3-(1-Pyrrolidinyl)propyl)-3-ethylcarbodiimide?
The canonical SMILES for 1-(3-(1-Pyrrolidinyl)propyl)-3-ethylcarbodiimide is CCN=C=NCCCN1CCCC1.
What is the InChIKey of 1-(3-(1-Pyrrolidinyl)propyl)-3-ethylcarbodiimide?
The InChIKey is BEENTKNKPLFNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-2-11-10-12-6-5-9-13-7-3-4-8-13/h2-9H2,1H3.
What are the key properties of 1-(3-(1-Pyrrolidinyl)propyl)-3-ethylcarbodiimide?
1-(3-(1-Pyrrolidinyl)propyl)-3-ethylcarbodiimide has a molecular weight of 181.28 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-(1-Pyrrolidinyl)propyl)-3-ethylcarbodiimide is sourced from PubChem (CID 10130232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).