7-(diethylamino)-2-methylideneheptanal

C12H23NO — CID 54473933

IUPAC7-(diethylamino)-2-methylideneheptanal
SMILESC=C(C=O)CCCCCN(CC)CC
InChIInChI=1S/C12H23NO/c1-4-13(5-2)10-8-6-7-9-12(3)11-14/h11H,3-10H2,1-2H3
InChIKeyVUPCPIAKLJHPLM-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.64
Rot. Bonds9

About 7-(diethylamino)-2-methylideneheptanal

7-(diethylamino)-2-methylideneheptanal (PubChem CID 54473933) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 7-(diethylamino)-2-methylideneheptanal.

Molecular Properties

Compound Name7-(diethylamino)-2-methylideneheptanal
PubChem CID54473933
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name7-(diethylamino)-2-methylideneheptanal
SMILESC=C(C=O)CCCCCN(CC)CC
InChIInChI=1S/C12H23NO/c1-4-13(5-2)10-8-6-7-9-12(3)11-14/h11H,3-10H2,1-2H3
InChIKeyVUPCPIAKLJHPLM-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-2-methylideneheptanal?
The IUPAC name of 7-(diethylamino)-2-methylideneheptanal (CID 54473933) is 7-(diethylamino)-2-methylideneheptanal.
What is the SMILES notation for 7-(diethylamino)-2-methylideneheptanal?
The canonical SMILES for 7-(diethylamino)-2-methylideneheptanal is C=C(C=O)CCCCCN(CC)CC.
What is the InChIKey of 7-(diethylamino)-2-methylideneheptanal?
The InChIKey is VUPCPIAKLJHPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-13(5-2)10-8-6-7-9-12(3)11-14/h11H,3-10H2,1-2H3.
What are the key properties of 7-(diethylamino)-2-methylideneheptanal?
7-(diethylamino)-2-methylideneheptanal 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 7-(diethylamino)-2-methylideneheptanal is sourced from PubChem (CID 54473933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).