2-methyl-2-(propan-2-ylamino)propanal

C7H15NO — CID 11094648

IUPAC2-methyl-2-(propan-2-ylamino)propanal
SMILESCC(C)NC(C)(C)C=O
InChIInChI=1S/C7H15NO/c1-6(2)8-7(3,4)5-9/h5-6,8H,1-4H3
InChIKeyOJXAKNLTIMEHGV-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.96
Rot. Bonds3

About 2-methyl-2-(propan-2-ylamino)propanal

2-methyl-2-(propan-2-ylamino)propanal (PubChem CID 11094648) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)propanal.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)propanal
PubChem CID11094648
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2-methyl-2-(propan-2-ylamino)propanal
SMILESCC(C)NC(C)(C)C=O
InChIInChI=1S/C7H15NO/c1-6(2)8-7(3,4)5-9/h5-6,8H,1-4H3
InChIKeyOJXAKNLTIMEHGV-UHFFFAOYSA-N
XLogP0.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1,1,1-trifluoro-2-methyl-N-propan-2-ylpropan-2-amine
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CID 162282619
N-(2,2-dimethylhexan-3-yl)formamide
CID 173284826
methyl 2,3-dimethyl-2-(propan-2-ylamino)butanoate
CID 62488791
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylamino)propanal?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)propanal (CID 11094648) is 2-methyl-2-(propan-2-ylamino)propanal.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)propanal?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)propanal is CC(C)NC(C)(C)C=O.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)propanal?
The InChIKey is OJXAKNLTIMEHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-6(2)8-7(3,4)5-9/h5-6,8H,1-4H3.
What are the key properties of 2-methyl-2-(propan-2-ylamino)propanal?
2-methyl-2-(propan-2-ylamino)propanal has a molecular weight of 129.20 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylamino)propanal is sourced from PubChem (CID 11094648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).