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

C8H17NO — CID 63039776

IUPAC3-[methyl(2-methylpropyl)amino]propanal
SMILESCC(C)CN(C)CCC=O
InChIInChI=1S/C8H17NO/c1-8(2)7-9(3)5-4-6-10/h6,8H,4-5,7H2,1-3H3
InChIKeyQTTGPNLFENNLMB-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.16
Rot. Bonds5

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

3-[methyl(2-methylpropyl)amino]propanal (PubChem CID 63039776) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-[methyl(2-methylpropyl)amino]propanal.

Molecular Properties

Compound Name3-[methyl(2-methylpropyl)amino]propanal
PubChem CID63039776
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-[methyl(2-methylpropyl)amino]propanal
SMILESCC(C)CN(C)CCC=O
InChIInChI=1S/C8H17NO/c1-8(2)7-9(3)5-4-6-10/h6,8H,4-5,7H2,1-3H3
InChIKeyQTTGPNLFENNLMB-UHFFFAOYSA-N
XLogP1.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.16
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-[methyl(2-methylpropyl)amino]propanal?
The IUPAC name of 3-[methyl(2-methylpropyl)amino]propanal (CID 63039776) is 3-[methyl(2-methylpropyl)amino]propanal.
What is the SMILES notation for 3-[methyl(2-methylpropyl)amino]propanal?
The canonical SMILES for 3-[methyl(2-methylpropyl)amino]propanal is CC(C)CN(C)CCC=O.
What is the InChIKey of 3-[methyl(2-methylpropyl)amino]propanal?
The InChIKey is QTTGPNLFENNLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(2)7-9(3)5-4-6-10/h6,8H,4-5,7H2,1-3H3.
What are the key properties of 3-[methyl(2-methylpropyl)amino]propanal?
3-[methyl(2-methylpropyl)amino]propanal has a molecular weight of 143.23 g/mol, XLogP of 1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-methylpropyl)amino]propanal is sourced from PubChem (CID 63039776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).