3-(2-methylpropylamino)propanal

C7H15NO — CID 54239557

IUPAC3-(2-methylpropylamino)propanal
SMILESCC(C)CNCCC=O
InChIInChI=1S/C7H15NO/c1-7(2)6-8-4-3-5-9/h5,7-8H,3-4,6H2,1-2H3
InChIKeyGJVGEZUBTXZOLP-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.82
Rot. Bonds5

About 3-(2-methylpropylamino)propanal

3-(2-methylpropylamino)propanal (PubChem CID 54239557) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 3-(2-methylpropylamino)propanal.

Molecular Properties

Compound Name3-(2-methylpropylamino)propanal
PubChem CID54239557
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name3-(2-methylpropylamino)propanal
SMILESCC(C)CNCCC=O
InChIInChI=1S/C7H15NO/c1-7(2)6-8-4-3-5-9/h5,7-8H,3-4,6H2,1-2H3
InChIKeyGJVGEZUBTXZOLP-UHFFFAOYSA-N
XLogP0.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Acetamido-2-methylpropanal
CID 11367000
Propanal, 3-(ethylamino)-2,2-dimethyl-
CID 11586309
3-(Methylamino)-2,2-dimethylpropanal
CID 15555432
3-Amino-2-methylpropanal
CID 19104107
3-(Methylamino)propanal
CID 21254778
Bis-oxopropylamine
CID 54044358
3-Fluoro-3-(methylamino)propanal
CID 152844685
3-(Tert-butylamino)-2,2-dimethylpropanal
CID 298051
3-(Propylamino)butanal
CID 13460894
3-[(2,2-Dimethyl-3-oxopropyl)amino]-2,2-dimethylpropanal
CID 15055098
3-(Butylamino)-2,2-dimethylpropanal
CID 15555429
3-(Propan-2-ylamino)propanal
CID 18976948

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropylamino)propanal?
The IUPAC name of 3-(2-methylpropylamino)propanal (CID 54239557) is 3-(2-methylpropylamino)propanal.
What is the SMILES notation for 3-(2-methylpropylamino)propanal?
The canonical SMILES for 3-(2-methylpropylamino)propanal is CC(C)CNCCC=O.
What is the InChIKey of 3-(2-methylpropylamino)propanal?
The InChIKey is GJVGEZUBTXZOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(2)6-8-4-3-5-9/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of 3-(2-methylpropylamino)propanal?
3-(2-methylpropylamino)propanal has a molecular weight of 129.20 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropylamino)propanal is sourced from PubChem (CID 54239557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).