9-[methyl(pent-4-enyl)amino]nonanal

C15H29NO — CID 155358504

IUPAC9-[methyl(pent-4-enyl)amino]nonanal
SMILESC=CCCCN(C)CCCCCCCCC=O
InChIInChI=1S/C15H29NO/c1-3-4-10-13-16(2)14-11-8-6-5-7-9-12-15-17/h3,15H,1,4-14H2,2H3
InChIKeyCRIBGZHHUDMHMP-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.81
Rot. Bonds13

About 9-[methyl(pent-4-enyl)amino]nonanal

9-[methyl(pent-4-enyl)amino]nonanal (PubChem CID 155358504) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 9-[methyl(pent-4-enyl)amino]nonanal.

Molecular Properties

Compound Name9-[methyl(pent-4-enyl)amino]nonanal
PubChem CID155358504
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name9-[methyl(pent-4-enyl)amino]nonanal
SMILESC=CCCCN(C)CCCCCCCCC=O
InChIInChI=1S/C15H29NO/c1-3-4-10-13-16(2)14-11-8-6-5-7-9-12-15-17/h3,15H,1,4-14H2,2H3
InChIKeyCRIBGZHHUDMHMP-UHFFFAOYSA-N
XLogP3.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[methyl(pent-4-enyl)amino]nonanal?
The IUPAC name of 9-[methyl(pent-4-enyl)amino]nonanal (CID 155358504) is 9-[methyl(pent-4-enyl)amino]nonanal.
What is the SMILES notation for 9-[methyl(pent-4-enyl)amino]nonanal?
The canonical SMILES for 9-[methyl(pent-4-enyl)amino]nonanal is C=CCCCN(C)CCCCCCCCC=O.
What is the InChIKey of 9-[methyl(pent-4-enyl)amino]nonanal?
The InChIKey is CRIBGZHHUDMHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-4-10-13-16(2)14-11-8-6-5-7-9-12-15-17/h3,15H,1,4-14H2,2H3.
What are the key properties of 9-[methyl(pent-4-enyl)amino]nonanal?
9-[methyl(pent-4-enyl)amino]nonanal has a molecular weight of 239.40 g/mol, XLogP of 3.81, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[methyl(pent-4-enyl)amino]nonanal is sourced from PubChem (CID 155358504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).