3-[butan-2-yl(methyl)amino]-2,2-dimethylpropanal

C10H21NO — CID 62275806

IUPAC3-[butan-2-yl(methyl)amino]-2,2-dimethylpropanal
SMILESCCC(C)N(C)CC(C)(C)C=O
InChIInChI=1S/C10H21NO/c1-6-9(2)11(5)7-10(3,4)8-12/h8-9H,6-7H2,1-5H3
InChIKeyRJNMZJIYJKCHMT-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.94
Rot. Bonds5

About 3-[butan-2-yl(methyl)amino]-2,2-dimethylpropanal

3-[butan-2-yl(methyl)amino]-2,2-dimethylpropanal (PubChem CID 62275806) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-[butan-2-yl(methyl)amino]-2,2-dimethylpropanal.

Molecular Properties

Compound Name3-[butan-2-yl(methyl)amino]-2,2-dimethylpropanal
PubChem CID62275806
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-[butan-2-yl(methyl)amino]-2,2-dimethylpropanal
SMILESCCC(C)N(C)CC(C)(C)C=O
InChIInChI=1S/C10H21NO/c1-6-9(2)11(5)7-10(3,4)8-12/h8-9H,6-7H2,1-5H3
InChIKeyRJNMZJIYJKCHMT-UHFFFAOYSA-N
XLogP1.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.94
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-[butan-2-yl(methyl)amino]-2,2-dimethylpropanal?
The IUPAC name of 3-[butan-2-yl(methyl)amino]-2,2-dimethylpropanal (CID 62275806) is 3-[butan-2-yl(methyl)amino]-2,2-dimethylpropanal.
What is the SMILES notation for 3-[butan-2-yl(methyl)amino]-2,2-dimethylpropanal?
The canonical SMILES for 3-[butan-2-yl(methyl)amino]-2,2-dimethylpropanal is CCC(C)N(C)CC(C)(C)C=O.
What is the InChIKey of 3-[butan-2-yl(methyl)amino]-2,2-dimethylpropanal?
The InChIKey is RJNMZJIYJKCHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-6-9(2)11(5)7-10(3,4)8-12/h8-9H,6-7H2,1-5H3.
What are the key properties of 3-[butan-2-yl(methyl)amino]-2,2-dimethylpropanal?
3-[butan-2-yl(methyl)amino]-2,2-dimethylpropanal has a molecular weight of 171.28 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl(methyl)amino]-2,2-dimethylpropanal is sourced from PubChem (CID 62275806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).