(2E,4Z)-N-[(E)-3-cyclohexylprop-2-enyl]-N-methyl-3-methylidene-2-(propoxymethylidene)hepta-4,6-dien-1-amine

C22H35NO — CID 139539943

IUPAC(2E,4Z)-N-[(E)-3-cyclohexylprop-2-enyl]-N-methyl-3-methylidene-2-(propoxymethylidene)hepta-4,6-dien-1-amine
SMILESC=C/C=C\C(=C)/C(=C\OCCC)CN(C)C/C=C/C1CCCCC1
InChIInChI=1S/C22H35NO/c1-5-7-12-20(3)22(19-24-17-6-2)18-23(4)16-11-15-21-13-9-8-10-14-21/h5,7,11-12,15,19,21H,1,3,6,8-10,13-14,16-18H2,2,4H3/b12-7-,15-11+,22-19-
InChIKeyTWPPNTBNVZDCGV-YYJASTQNSA-N
MW329.53 g/mol
LogP5.66
Rot. Bonds11

About (2E,4Z)-N-[(E)-3-cyclohexylprop-2-enyl]-N-methyl-3-methylidene-2-(propoxymethylidene)hepta-4,6-dien-1-amine

(2E,4Z)-N-[(E)-3-cyclohexylprop-2-enyl]-N-methyl-3-methylidene-2-(propoxymethylidene)hepta-4,6-dien-1-amine (PubChem CID 139539943) has the molecular formula C22H35NO and a molecular weight of 329.53 g/mol. Its IUPAC name is (2E,4Z)-N-[(E)-3-cyclohexylprop-2-enyl]-N-methyl-3-methylidene-2-(propoxymethylidene)hepta-4,6-dien-1-amine.

Molecular Properties

Compound Name(2E,4Z)-N-[(E)-3-cyclohexylprop-2-enyl]-N-methyl-3-methylidene-2-(propoxymethylidene)hepta-4,6-dien-1-amine
PubChem CID139539943
Molecular FormulaC22H35NO
Molecular Weight329.53 g/mol
Exact Mass329.27
IUPAC Name(2E,4Z)-N-[(E)-3-cyclohexylprop-2-enyl]-N-methyl-3-methylidene-2-(propoxymethylidene)hepta-4,6-dien-1-amine
SMILESC=C/C=C\C(=C)/C(=C\OCCC)CN(C)C/C=C/C1CCCCC1
InChIInChI=1S/C22H35NO/c1-5-7-12-20(3)22(19-24-17-6-2)18-23(4)16-11-15-21-13-9-8-10-14-21/h5,7,11-12,15,19,21H,1,3,6,8-10,13-14,16-18H2,2,4H3/b12-7-,15-11+,22-19-
InChIKeyTWPPNTBNVZDCGV-YYJASTQNSA-N
XLogP5.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.53
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4Z)-N-[(E)-3-cyclohexylprop-2-enyl]-N-methyl-3-methylidene-2-(propoxymethylidene)hepta-4,6-dien-1-amine 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 (2E,4Z)-N-[(E)-3-cyclohexylprop-2-enyl]-N-methyl-3-methylidene-2-(propoxymethylidene)hepta-4,6-dien-1-amine?
The IUPAC name of (2E,4Z)-N-[(E)-3-cyclohexylprop-2-enyl]-N-methyl-3-methylidene-2-(propoxymethylidene)hepta-4,6-dien-1-amine (CID 139539943) is (2E,4Z)-N-[(E)-3-cyclohexylprop-2-enyl]-N-methyl-3-methylidene-2-(propoxymethylidene)hepta-4,6-dien-1-amine.
What is the SMILES notation for (2E,4Z)-N-[(E)-3-cyclohexylprop-2-enyl]-N-methyl-3-methylidene-2-(propoxymethylidene)hepta-4,6-dien-1-amine?
The canonical SMILES for (2E,4Z)-N-[(E)-3-cyclohexylprop-2-enyl]-N-methyl-3-methylidene-2-(propoxymethylidene)hepta-4,6-dien-1-amine is C=C/C=C\C(=C)/C(=C\OCCC)CN(C)C/C=C/C1CCCCC1.
What is the InChIKey of (2E,4Z)-N-[(E)-3-cyclohexylprop-2-enyl]-N-methyl-3-methylidene-2-(propoxymethylidene)hepta-4,6-dien-1-amine?
The InChIKey is TWPPNTBNVZDCGV-YYJASTQNSA-N. The full InChI is InChI=1S/C22H35NO/c1-5-7-12-20(3)22(19-24-17-6-2)18-23(4)16-11-15-21-13-9-8-10-14-21/h5,7,11-12,15,19,21H,1,3,6,8-10,13-14,16-18H2,2,4H3/b12-7-,15-11+,22-19-.
What are the key properties of (2E,4Z)-N-[(E)-3-cyclohexylprop-2-enyl]-N-methyl-3-methylidene-2-(propoxymethylidene)hepta-4,6-dien-1-amine?
(2E,4Z)-N-[(E)-3-cyclohexylprop-2-enyl]-N-methyl-3-methylidene-2-(propoxymethylidene)hepta-4,6-dien-1-amine has a molecular weight of 329.53 g/mol, XLogP of 5.66, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-[(E)-3-cyclohexylprop-2-enyl]-N-methyl-3-methylidene-2-(propoxymethylidene)hepta-4,6-dien-1-amine is sourced from PubChem (CID 139539943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).