9-[ethyl(methyl)amino]non-7-enal

C12H23NO — CID 91587603

IUPAC9-[ethyl(methyl)amino]non-7-enal
SMILESCCN(C)CC=CCCCCCC=O
InChIInChI=1S/C12H23NO/c1-3-13(2)11-9-7-5-4-6-8-10-12-14/h7,9,12H,3-6,8,10-11H2,1-2H3
InChIKeyCXUJONKBOXSXME-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.64
Rot. Bonds9

About 9-[ethyl(methyl)amino]non-7-enal

9-[ethyl(methyl)amino]non-7-enal (PubChem CID 91587603) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 9-[ethyl(methyl)amino]non-7-enal.

Molecular Properties

Compound Name9-[ethyl(methyl)amino]non-7-enal
PubChem CID91587603
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name9-[ethyl(methyl)amino]non-7-enal
SMILESCCN(C)CC=CCCCCCC=O
InChIInChI=1S/C12H23NO/c1-3-13(2)11-9-7-5-4-6-8-10-12-14/h7,9,12H,3-6,8,10-11H2,1-2H3
InChIKeyCXUJONKBOXSXME-UHFFFAOYSA-N
XLogP2.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.64
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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Related Compounds

8-[Ethyl(methyl)amino]-2-methyloct-6-enal
CID 90938345
9-[Methyl(pent-4-enyl)amino]nonanal
CID 155358504
9-[Methyl(propyl)amino]non-7-enal
CID 173051229
2-Methyl-8-[methyl(propyl)amino]oct-6-enal
CID 173051366
N,N-dimethylmethanamine;(Z)-octadec-9-enal
CID 174690016
N,N-dimethylmethanamine;(Z)-octadec-9-enal;propane
CID 174693112
(5Z,7Z)-9-[ethyl(methyl)amino]deca-5,7-dienal
CID 143433196

Frequently Asked Questions

What is the IUPAC name of 9-[ethyl(methyl)amino]non-7-enal?
The IUPAC name of 9-[ethyl(methyl)amino]non-7-enal (CID 91587603) is 9-[ethyl(methyl)amino]non-7-enal.
What is the SMILES notation for 9-[ethyl(methyl)amino]non-7-enal?
The canonical SMILES for 9-[ethyl(methyl)amino]non-7-enal is CCN(C)CC=CCCCCCC=O.
What is the InChIKey of 9-[ethyl(methyl)amino]non-7-enal?
The InChIKey is CXUJONKBOXSXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-13(2)11-9-7-5-4-6-8-10-12-14/h7,9,12H,3-6,8,10-11H2,1-2H3.
What are the key properties of 9-[ethyl(methyl)amino]non-7-enal?
9-[ethyl(methyl)amino]non-7-enal has a molecular weight of 197.32 g/mol, XLogP of 2.64, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[ethyl(methyl)amino]non-7-enal is sourced from PubChem (CID 91587603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).