3-(2-propyl-1,3-diazinan-2-yl)propanal

C10H20N2O — CID 166921525

IUPAC3-(2-propyl-1,3-diazinan-2-yl)propanal
SMILESCCCC1(CCC=O)NCCCN1
InChIInChI=1S/C10H20N2O/c1-2-5-10(6-3-9-13)11-7-4-8-12-10/h9,11-12H,2-8H2,1H3
InChIKeyUCOCNMUUYGRRMB-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.04
Rot. Bonds5

About 3-(2-propyl-1,3-diazinan-2-yl)propanal

3-(2-propyl-1,3-diazinan-2-yl)propanal (PubChem CID 166921525) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-(2-propyl-1,3-diazinan-2-yl)propanal.

Molecular Properties

Compound Name3-(2-propyl-1,3-diazinan-2-yl)propanal
PubChem CID166921525
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-(2-propyl-1,3-diazinan-2-yl)propanal
SMILESCCCC1(CCC=O)NCCCN1
InChIInChI=1S/C10H20N2O/c1-2-5-10(6-3-9-13)11-7-4-8-12-10/h9,11-12H,2-8H2,1H3
InChIKeyUCOCNMUUYGRRMB-UHFFFAOYSA-N
XLogP1.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-propyl-1,3-diazinan-2-yl)propanal 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 3-(2-propyl-1,3-diazinan-2-yl)propanal?
The IUPAC name of 3-(2-propyl-1,3-diazinan-2-yl)propanal (CID 166921525) is 3-(2-propyl-1,3-diazinan-2-yl)propanal.
What is the SMILES notation for 3-(2-propyl-1,3-diazinan-2-yl)propanal?
The canonical SMILES for 3-(2-propyl-1,3-diazinan-2-yl)propanal is CCCC1(CCC=O)NCCCN1.
What is the InChIKey of 3-(2-propyl-1,3-diazinan-2-yl)propanal?
The InChIKey is UCOCNMUUYGRRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-2-5-10(6-3-9-13)11-7-4-8-12-10/h9,11-12H,2-8H2,1H3.
What are the key properties of 3-(2-propyl-1,3-diazinan-2-yl)propanal?
3-(2-propyl-1,3-diazinan-2-yl)propanal has a molecular weight of 184.28 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propyl-1,3-diazinan-2-yl)propanal is sourced from PubChem (CID 166921525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).