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

C9H19NO — CID 22928533

IUPAC3-[di(propan-2-yl)amino]propanal
SMILESCC(C)N(CCC=O)C(C)C
InChIInChI=1S/C9H19NO/c1-8(2)10(9(3)4)6-5-7-11/h7-9H,5-6H2,1-4H3
InChIKeyKJYXHDRWXAKXIA-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.69
Rot. Bonds5

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

3-[di(propan-2-yl)amino]propanal (PubChem CID 22928533) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-[di(propan-2-yl)amino]propanal.

Molecular Properties

Compound Name3-[di(propan-2-yl)amino]propanal
PubChem CID22928533
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-[di(propan-2-yl)amino]propanal
SMILESCC(C)N(CCC=O)C(C)C
InChIInChI=1S/C9H19NO/c1-8(2)10(9(3)4)6-5-7-11/h7-9H,5-6H2,1-4H3
InChIKeyKJYXHDRWXAKXIA-UHFFFAOYSA-N
XLogP1.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[di(propan-2-yl)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-[di(propan-2-yl)amino]propanal?
The IUPAC name of 3-[di(propan-2-yl)amino]propanal (CID 22928533) is 3-[di(propan-2-yl)amino]propanal.
What is the SMILES notation for 3-[di(propan-2-yl)amino]propanal?
The canonical SMILES for 3-[di(propan-2-yl)amino]propanal is CC(C)N(CCC=O)C(C)C.
What is the InChIKey of 3-[di(propan-2-yl)amino]propanal?
The InChIKey is KJYXHDRWXAKXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2)10(9(3)4)6-5-7-11/h7-9H,5-6H2,1-4H3.
What are the key properties of 3-[di(propan-2-yl)amino]propanal?
3-[di(propan-2-yl)amino]propanal has a molecular weight of 157.26 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[di(propan-2-yl)amino]propanal is sourced from PubChem (CID 22928533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).