3-(dimethylamino)-2-methylpropanal

C6H13NO — CID 20695664

IUPAC3-(dimethylamino)-2-methylpropanal
SMILESCC(C=O)CN(C)C
InChIInChI=1S/C6H13NO/c1-6(5-8)4-7(2)3/h5-6H,4H2,1-3H3
InChIKeyJRKCEWUWTPANMB-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.38
Rot. Bonds3

About 3-(dimethylamino)-2-methylpropanal

3-(dimethylamino)-2-methylpropanal (PubChem CID 20695664) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 3-(dimethylamino)-2-methylpropanal.

Molecular Properties

Compound Name3-(dimethylamino)-2-methylpropanal
PubChem CID20695664
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name3-(dimethylamino)-2-methylpropanal
SMILESCC(C=O)CN(C)C
InChIInChI=1S/C6H13NO/c1-6(5-8)4-7(2)3/h5-6H,4H2,1-3H3
InChIKeyJRKCEWUWTPANMB-UHFFFAOYSA-N
XLogP0.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.38
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
N,N,N-Trimethyl, 2-formyl-2-methylpropylammonium iodide (Propanal, 2,2-dimethyl-3-(N,N,N-trimethylammonio-), iodide)-
CID 171384747
3-(Diethylamino)propanal
CID 429319
3-(Dimethylamino)propanal hydrochloride
CID 141342787
3-(Dimethylamino)propanal
CID 546946
3-(Dipropylamino)-2,2-dimethylpropanal
CID 230583
3-Diethylaminopropan-1-one hydrochloride
CID 145713935
Trimethyl(3-oxopropyl)azanium
CID 19936188
Trimethyl(3-oxopropyl)azanium chloride
CID 21696388
3-(Dipropylamino)propanal
CID 22611150
3-(Dimethylamino)butanal
CID 22757844

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-methylpropanal?
The IUPAC name of 3-(dimethylamino)-2-methylpropanal (CID 20695664) is 3-(dimethylamino)-2-methylpropanal.
What is the SMILES notation for 3-(dimethylamino)-2-methylpropanal?
The canonical SMILES for 3-(dimethylamino)-2-methylpropanal is CC(C=O)CN(C)C.
What is the InChIKey of 3-(dimethylamino)-2-methylpropanal?
The InChIKey is JRKCEWUWTPANMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-6(5-8)4-7(2)3/h5-6H,4H2,1-3H3.
What are the key properties of 3-(dimethylamino)-2-methylpropanal?
3-(dimethylamino)-2-methylpropanal has a molecular weight of 115.18 g/mol, XLogP of 0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-methylpropanal is sourced from PubChem (CID 20695664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).