(2Z)-2-(dimethylaminomethylidene)dodecanal

C15H29NO — CID 18934325

IUPAC(2Z)-2-(dimethylaminomethylidene)dodecanal
SMILESCCCCCCCCCC/C(C=O)=C/N(C)C
InChIInChI=1S/C15H29NO/c1-4-5-6-7-8-9-10-11-12-15(14-17)13-16(2)3/h13-14H,4-12H2,1-3H3/b15-13-
InChIKeyRUYAXEAYANDSKW-SQFISAMPSA-N
MW239.40 g/mol
LogP4.16
Rot. Bonds11

About (2Z)-2-(dimethylaminomethylidene)dodecanal

(2Z)-2-(dimethylaminomethylidene)dodecanal (PubChem CID 18934325) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is (2Z)-2-(dimethylaminomethylidene)dodecanal.

Molecular Properties

Compound Name(2Z)-2-(dimethylaminomethylidene)dodecanal
PubChem CID18934325
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name(2Z)-2-(dimethylaminomethylidene)dodecanal
SMILESCCCCCCCCCC/C(C=O)=C/N(C)C
InChIInChI=1S/C15H29NO/c1-4-5-6-7-8-9-10-11-12-15(14-17)13-16(2)3/h13-14H,4-12H2,1-3H3/b15-13-
InChIKeyRUYAXEAYANDSKW-SQFISAMPSA-N
XLogP4.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 54.16
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 (2Z)-2-(dimethylaminomethylidene)dodecanal?
The IUPAC name of (2Z)-2-(dimethylaminomethylidene)dodecanal (CID 18934325) is (2Z)-2-(dimethylaminomethylidene)dodecanal.
What is the SMILES notation for (2Z)-2-(dimethylaminomethylidene)dodecanal?
The canonical SMILES for (2Z)-2-(dimethylaminomethylidene)dodecanal is CCCCCCCCCC/C(C=O)=C/N(C)C.
What is the InChIKey of (2Z)-2-(dimethylaminomethylidene)dodecanal?
The InChIKey is RUYAXEAYANDSKW-SQFISAMPSA-N. The full InChI is InChI=1S/C15H29NO/c1-4-5-6-7-8-9-10-11-12-15(14-17)13-16(2)3/h13-14H,4-12H2,1-3H3/b15-13-.
What are the key properties of (2Z)-2-(dimethylaminomethylidene)dodecanal?
(2Z)-2-(dimethylaminomethylidene)dodecanal has a molecular weight of 239.40 g/mol, XLogP of 4.16, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(dimethylaminomethylidene)dodecanal is sourced from PubChem (CID 18934325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).