3-[bis(2-methylpropyl)amino]-2,2-dimethylpropanal

C13H27NO — CID 62276215

IUPAC3-[bis(2-methylpropyl)amino]-2,2-dimethylpropanal
SMILESCC(C)CN(CC(C)C)CC(C)(C)C=O
InChIInChI=1S/C13H27NO/c1-11(2)7-14(8-12(3)4)9-13(5,6)10-15/h10-12H,7-9H2,1-6H3
InChIKeyIAWFUZBWCRKNDC-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds7

About 3-[bis(2-methylpropyl)amino]-2,2-dimethylpropanal

3-[bis(2-methylpropyl)amino]-2,2-dimethylpropanal (PubChem CID 62276215) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-[bis(2-methylpropyl)amino]-2,2-dimethylpropanal.

Molecular Properties

Compound Name3-[bis(2-methylpropyl)amino]-2,2-dimethylpropanal
PubChem CID62276215
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-[bis(2-methylpropyl)amino]-2,2-dimethylpropanal
SMILESCC(C)CN(CC(C)C)CC(C)(C)C=O
InChIInChI=1S/C13H27NO/c1-11(2)7-14(8-12(3)4)9-13(5,6)10-15/h10-12H,7-9H2,1-6H3
InChIKeyIAWFUZBWCRKNDC-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methylpropyl)amino]-2,2-dimethylpropanal?
The IUPAC name of 3-[bis(2-methylpropyl)amino]-2,2-dimethylpropanal (CID 62276215) is 3-[bis(2-methylpropyl)amino]-2,2-dimethylpropanal.
What is the SMILES notation for 3-[bis(2-methylpropyl)amino]-2,2-dimethylpropanal?
The canonical SMILES for 3-[bis(2-methylpropyl)amino]-2,2-dimethylpropanal is CC(C)CN(CC(C)C)CC(C)(C)C=O.
What is the InChIKey of 3-[bis(2-methylpropyl)amino]-2,2-dimethylpropanal?
The InChIKey is IAWFUZBWCRKNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11(2)7-14(8-12(3)4)9-13(5,6)10-15/h10-12H,7-9H2,1-6H3.
What are the key properties of 3-[bis(2-methylpropyl)amino]-2,2-dimethylpropanal?
3-[bis(2-methylpropyl)amino]-2,2-dimethylpropanal has a molecular weight of 213.36 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methylpropyl)amino]-2,2-dimethylpropanal is sourced from PubChem (CID 62276215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).