3-[methyl(2-methylbutyl)amino]propanal

C9H19NO — CID 63040143

IUPAC3-[methyl(2-methylbutyl)amino]propanal
SMILESCCC(C)CN(C)CCC=O
InChIInChI=1S/C9H19NO/c1-4-9(2)8-10(3)6-5-7-11/h7,9H,4-6,8H2,1-3H3
InChIKeyRWYAGINCAZJDOW-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.55
Rot. Bonds6

About 3-[methyl(2-methylbutyl)amino]propanal

3-[methyl(2-methylbutyl)amino]propanal (PubChem CID 63040143) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-[methyl(2-methylbutyl)amino]propanal.

Molecular Properties

Compound Name3-[methyl(2-methylbutyl)amino]propanal
PubChem CID63040143
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-[methyl(2-methylbutyl)amino]propanal
SMILESCCC(C)CN(C)CCC=O
InChIInChI=1S/C9H19NO/c1-4-9(2)8-10(3)6-5-7-11/h7,9H,4-6,8H2,1-3H3
InChIKeyRWYAGINCAZJDOW-UHFFFAOYSA-N
XLogP1.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.55
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

Diethylaminopivalaldehyde
CID 80653
2,2-Dimethyl-3-(pyrrolidin-1-yl)propanal
CID 3135969
3-(Dimethylamino)-2-methylpropanal
CID 20695664
3-(Dipropylamino)-2,2-dimethylpropanal
CID 230583
2,2'-[(Methylazanediyl)bis(methylene)]bis(2-methylpropanal)
CID 301086
1-Butyl-4-methylpyrrolidine-3-carbaldehyde
CID 13123266
4-(Diethylamino)-2,2-dimethylbutanal
CID 12460135
2-[(Dimethylamino)methyl]pentanal
CID 12507204
2-(Diethylaminomethyl)butanal
CID 13555876
2-Methyl-3-piperidin-1-ylpropanal
CID 13720912
2-Methyl-3-pyrrolidin-1-ylpropanal
CID 14782662
3-(4-Methylpiperidin-1-yl)propanal
CID 20161450

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-methylbutyl)amino]propanal?
The IUPAC name of 3-[methyl(2-methylbutyl)amino]propanal (CID 63040143) is 3-[methyl(2-methylbutyl)amino]propanal.
What is the SMILES notation for 3-[methyl(2-methylbutyl)amino]propanal?
The canonical SMILES for 3-[methyl(2-methylbutyl)amino]propanal is CCC(C)CN(C)CCC=O.
What is the InChIKey of 3-[methyl(2-methylbutyl)amino]propanal?
The InChIKey is RWYAGINCAZJDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-9(2)8-10(3)6-5-7-11/h7,9H,4-6,8H2,1-3H3.
What are the key properties of 3-[methyl(2-methylbutyl)amino]propanal?
3-[methyl(2-methylbutyl)amino]propanal has a molecular weight of 157.26 g/mol, XLogP of 1.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-methylbutyl)amino]propanal is sourced from PubChem (CID 63040143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).