2,2-dimethyl-3-(2-methylpropylamino)propanal

C9H19NO — CID 135134143

IUPAC2,2-dimethyl-3-(2-methylpropylamino)propanal
SMILESCC(C)CNCC(C)(C)C=O
InChIInChI=1S/C9H19NO/c1-8(2)5-10-6-9(3,4)7-11/h7-8,10H,5-6H2,1-4H3
InChIKeyCWPSZXAGSJERLU-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.46
Rot. Bonds5

About 2,2-dimethyl-3-(2-methylpropylamino)propanal

2,2-dimethyl-3-(2-methylpropylamino)propanal (PubChem CID 135134143) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylpropylamino)propanal.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylpropylamino)propanal
PubChem CID135134143
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2,2-dimethyl-3-(2-methylpropylamino)propanal
SMILESCC(C)CNCC(C)(C)C=O
InChIInChI=1S/C9H19NO/c1-8(2)5-10-6-9(3,4)7-11/h7-8,10H,5-6H2,1-4H3
InChIKeyCWPSZXAGSJERLU-UHFFFAOYSA-N
XLogP1.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-3-(2-methylpropylamino)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 2,2-dimethyl-3-(2-methylpropylamino)propanal?
The IUPAC name of 2,2-dimethyl-3-(2-methylpropylamino)propanal (CID 135134143) is 2,2-dimethyl-3-(2-methylpropylamino)propanal.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylpropylamino)propanal?
The canonical SMILES for 2,2-dimethyl-3-(2-methylpropylamino)propanal is CC(C)CNCC(C)(C)C=O.
What is the InChIKey of 2,2-dimethyl-3-(2-methylpropylamino)propanal?
The InChIKey is CWPSZXAGSJERLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2)5-10-6-9(3,4)7-11/h7-8,10H,5-6H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-(2-methylpropylamino)propanal?
2,2-dimethyl-3-(2-methylpropylamino)propanal has a molecular weight of 157.26 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methylpropylamino)propanal is sourced from PubChem (CID 135134143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).