3-[propan-2-yl(3-propan-2-yliminopropyl)amino]propanal

C12H24N2O — CID 146227116

IUPAC3-[propan-2-yl(3-propan-2-yliminopropyl)amino]propanal
SMILESCC(C)/N=C/CCN(CCC=O)C(C)C
InChIInChI=1S/C12H24N2O/c1-11(2)13-7-5-8-14(12(3)4)9-6-10-15/h7,10-12H,5-6,8-9H2,1-4H3/b13-7+
InChIKeyWAIFOOUSEWGKMG-NTUHNPAUSA-N
MW212.34 g/mol
LogP2.16
Rot. Bonds8

About 3-[propan-2-yl(3-propan-2-yliminopropyl)amino]propanal

3-[propan-2-yl(3-propan-2-yliminopropyl)amino]propanal (PubChem CID 146227116) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-[propan-2-yl(3-propan-2-yliminopropyl)amino]propanal.

Molecular Properties

Compound Name3-[propan-2-yl(3-propan-2-yliminopropyl)amino]propanal
PubChem CID146227116
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-[propan-2-yl(3-propan-2-yliminopropyl)amino]propanal
SMILESCC(C)/N=C/CCN(CCC=O)C(C)C
InChIInChI=1S/C12H24N2O/c1-11(2)13-7-5-8-14(12(3)4)9-6-10-15/h7,10-12H,5-6,8-9H2,1-4H3/b13-7+
InChIKeyWAIFOOUSEWGKMG-NTUHNPAUSA-N
XLogP2.16
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[propan-2-yl(3-propan-2-yliminopropyl)amino]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-[propan-2-yl(3-propan-2-yliminopropyl)amino]propanal?
The IUPAC name of 3-[propan-2-yl(3-propan-2-yliminopropyl)amino]propanal (CID 146227116) is 3-[propan-2-yl(3-propan-2-yliminopropyl)amino]propanal.
What is the SMILES notation for 3-[propan-2-yl(3-propan-2-yliminopropyl)amino]propanal?
The canonical SMILES for 3-[propan-2-yl(3-propan-2-yliminopropyl)amino]propanal is CC(C)/N=C/CCN(CCC=O)C(C)C.
What is the InChIKey of 3-[propan-2-yl(3-propan-2-yliminopropyl)amino]propanal?
The InChIKey is WAIFOOUSEWGKMG-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11(2)13-7-5-8-14(12(3)4)9-6-10-15/h7,10-12H,5-6,8-9H2,1-4H3/b13-7+.
What are the key properties of 3-[propan-2-yl(3-propan-2-yliminopropyl)amino]propanal?
3-[propan-2-yl(3-propan-2-yliminopropyl)amino]propanal has a molecular weight of 212.34 g/mol, XLogP of 2.16, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl(3-propan-2-yliminopropyl)amino]propanal is sourced from PubChem (CID 146227116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).