3-(8-methylnonylamino)propanal

C13H27NO — CID 18625196

IUPAC3-(8-methylnonylamino)propanal
SMILESCC(C)CCCCCCCNCCC=O
InChIInChI=1S/C13H27NO/c1-13(2)9-6-4-3-5-7-10-14-11-8-12-15/h12-14H,3-11H2,1-2H3
InChIKeyLKDBALFGUMJNGZ-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.16
Rot. Bonds11

About 3-(8-methylnonylamino)propanal

3-(8-methylnonylamino)propanal (PubChem CID 18625196) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-(8-methylnonylamino)propanal.

Molecular Properties

Compound Name3-(8-methylnonylamino)propanal
PubChem CID18625196
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-(8-methylnonylamino)propanal
SMILESCC(C)CCCCCCCNCCC=O
InChIInChI=1S/C13H27NO/c1-13(2)9-6-4-3-5-7-10-14-11-8-12-15/h12-14H,3-11H2,1-2H3
InChIKeyLKDBALFGUMJNGZ-UHFFFAOYSA-N
XLogP3.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.16
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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Frequently Asked Questions

What is the IUPAC name of 3-(8-methylnonylamino)propanal?
The IUPAC name of 3-(8-methylnonylamino)propanal (CID 18625196) is 3-(8-methylnonylamino)propanal.
What is the SMILES notation for 3-(8-methylnonylamino)propanal?
The canonical SMILES for 3-(8-methylnonylamino)propanal is CC(C)CCCCCCCNCCC=O.
What is the InChIKey of 3-(8-methylnonylamino)propanal?
The InChIKey is LKDBALFGUMJNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-13(2)9-6-4-3-5-7-10-14-11-8-12-15/h12-14H,3-11H2,1-2H3.
What are the key properties of 3-(8-methylnonylamino)propanal?
3-(8-methylnonylamino)propanal has a molecular weight of 213.36 g/mol, XLogP of 3.16, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methylnonylamino)propanal is sourced from PubChem (CID 18625196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).