(2Z)-2-(dimethylaminomethylidene)heptanal

C10H19NO — CID 22338885

IUPAC(2Z)-2-(dimethylaminomethylidene)heptanal
SMILESCCCCC/C(C=O)=C/N(C)C
InChIInChI=1S/C10H19NO/c1-4-5-6-7-10(9-12)8-11(2)3/h8-9H,4-7H2,1-3H3/b10-8-
InChIKeyBUHYWSZMYLHJGB-NTMALXAHSA-N
MW169.27 g/mol
LogP2.21
Rot. Bonds6

About (2Z)-2-(dimethylaminomethylidene)heptanal

(2Z)-2-(dimethylaminomethylidene)heptanal (PubChem CID 22338885) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (2Z)-2-(dimethylaminomethylidene)heptanal.

Molecular Properties

Compound Name(2Z)-2-(dimethylaminomethylidene)heptanal
PubChem CID22338885
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(2Z)-2-(dimethylaminomethylidene)heptanal
SMILESCCCCC/C(C=O)=C/N(C)C
InChIInChI=1S/C10H19NO/c1-4-5-6-7-10(9-12)8-11(2)3/h8-9H,4-7H2,1-3H3/b10-8-
InChIKeyBUHYWSZMYLHJGB-NTMALXAHSA-N
XLogP2.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.21
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'}

Analyze (2Z)-2-(dimethylaminomethylidene)heptanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(dimethylaminomethylidene)heptanal?
The IUPAC name of (2Z)-2-(dimethylaminomethylidene)heptanal (CID 22338885) is (2Z)-2-(dimethylaminomethylidene)heptanal.
What is the SMILES notation for (2Z)-2-(dimethylaminomethylidene)heptanal?
The canonical SMILES for (2Z)-2-(dimethylaminomethylidene)heptanal is CCCCC/C(C=O)=C/N(C)C.
What is the InChIKey of (2Z)-2-(dimethylaminomethylidene)heptanal?
The InChIKey is BUHYWSZMYLHJGB-NTMALXAHSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-5-6-7-10(9-12)8-11(2)3/h8-9H,4-7H2,1-3H3/b10-8-.
What are the key properties of (2Z)-2-(dimethylaminomethylidene)heptanal?
(2Z)-2-(dimethylaminomethylidene)heptanal has a molecular weight of 169.27 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(dimethylaminomethylidene)heptanal is sourced from PubChem (CID 22338885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).