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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Related Compounds

2,2-Dimethyl-3-(dimethylamino)propionaldehyde
CID 84921
Diethylaminopivalaldehyde
CID 80653
2,2-Dimethyl-3-(pyrrolidin-1-yl)propanal
CID 3135969
3-[Cyclopropyl(ethyl)amino]-2,2-dimethylpropanal
CID 62277144
N,N,N-Trimethyl, 2-formyl-2-methylpropylammonium iodide (Propanal, 2,2-dimethyl-3-(N,N,N-trimethylammonio-), iodide)-
CID 171384747
3-(Dipropylamino)-2,2-dimethylpropanal
CID 230583
2,2'-[(Methylazanediyl)bis(methylene)]bis(2-methylpropanal)
CID 301086
2,2-Dimethyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanal
CID 62276597
3-[Ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal
CID 62276978
3-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal
CID 62277357
2,2-Dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanal
CID 62278314
2,2-Dimethyl-3-[methyl(3,3,3-trifluoropropyl)amino]propanal
CID 65531618

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).