6-(dimethylamino)-2-methylidenehexanal

C9H17NO — CID 54326222

IUPAC6-(dimethylamino)-2-methylidenehexanal
SMILESC=C(C=O)CCCCN(C)C
InChIInChI=1S/C9H17NO/c1-9(8-11)6-4-5-7-10(2)3/h8H,1,4-7H2,2-3H3
InChIKeyBWQCIRUFFFAFQZ-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.47
Rot. Bonds6

About 6-(dimethylamino)-2-methylidenehexanal

6-(dimethylamino)-2-methylidenehexanal (PubChem CID 54326222) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 6-(dimethylamino)-2-methylidenehexanal.

Molecular Properties

Compound Name6-(dimethylamino)-2-methylidenehexanal
PubChem CID54326222
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name6-(dimethylamino)-2-methylidenehexanal
SMILESC=C(C=O)CCCCN(C)C
InChIInChI=1S/C9H17NO/c1-9(8-11)6-4-5-7-10(2)3/h8H,1,4-7H2,2-3H3
InChIKeyBWQCIRUFFFAFQZ-UHFFFAOYSA-N
XLogP1.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.47
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 6-(dimethylamino)-2-methylidenehexanal?
The IUPAC name of 6-(dimethylamino)-2-methylidenehexanal (CID 54326222) is 6-(dimethylamino)-2-methylidenehexanal.
What is the SMILES notation for 6-(dimethylamino)-2-methylidenehexanal?
The canonical SMILES for 6-(dimethylamino)-2-methylidenehexanal is C=C(C=O)CCCCN(C)C.
What is the InChIKey of 6-(dimethylamino)-2-methylidenehexanal?
The InChIKey is BWQCIRUFFFAFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-9(8-11)6-4-5-7-10(2)3/h8H,1,4-7H2,2-3H3.
What are the key properties of 6-(dimethylamino)-2-methylidenehexanal?
6-(dimethylamino)-2-methylidenehexanal has a molecular weight of 155.24 g/mol, XLogP of 1.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2-methylidenehexanal is sourced from PubChem (CID 54326222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).