N-ethylidene-N'-[(1E,5Z)-2-methylhepta-1,5-dienyl]ethanimidamide

C12H20N2 — CID 134566816

IUPACN-ethylidene-N'-[(1E,5Z)-2-methylhepta-1,5-dienyl]ethanimidamide
SMILESC/C=C\CC/C(C)=C/N=C(C)/N=C/C
InChIInChI=1S/C12H20N2/c1-5-7-8-9-11(3)10-14-12(4)13-6-2/h5-7,10H,8-9H2,1-4H3/b7-5-,11-10+,13-6+,14-12+
InChIKeyKAKDQQDVVSCEBO-LAKQKDEMSA-N
MW192.31 g/mol
LogP3.76
Rot. Bonds4

About N-ethylidene-N'-[(1E,5Z)-2-methylhepta-1,5-dienyl]ethanimidamide

N-ethylidene-N'-[(1E,5Z)-2-methylhepta-1,5-dienyl]ethanimidamide (PubChem CID 134566816) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-ethylidene-N'-[(1E,5Z)-2-methylhepta-1,5-dienyl]ethanimidamide.

Molecular Properties

Compound NameN-ethylidene-N'-[(1E,5Z)-2-methylhepta-1,5-dienyl]ethanimidamide
PubChem CID134566816
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-ethylidene-N'-[(1E,5Z)-2-methylhepta-1,5-dienyl]ethanimidamide
SMILESC/C=C\CC/C(C)=C/N=C(C)/N=C/C
InChIInChI=1S/C12H20N2/c1-5-7-8-9-11(3)10-14-12(4)13-6-2/h5-7,10H,8-9H2,1-4H3/b7-5-,11-10+,13-6+,14-12+
InChIKeyKAKDQQDVVSCEBO-LAKQKDEMSA-N
XLogP3.76
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-ethylidene-N'-[(1E,5Z)-2-methylhepta-1,5-dienyl]ethanimidamide 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 N-ethylidene-N'-[(1E,5Z)-2-methylhepta-1,5-dienyl]ethanimidamide?
The IUPAC name of N-ethylidene-N'-[(1E,5Z)-2-methylhepta-1,5-dienyl]ethanimidamide (CID 134566816) is N-ethylidene-N'-[(1E,5Z)-2-methylhepta-1,5-dienyl]ethanimidamide.
What is the SMILES notation for N-ethylidene-N'-[(1E,5Z)-2-methylhepta-1,5-dienyl]ethanimidamide?
The canonical SMILES for N-ethylidene-N'-[(1E,5Z)-2-methylhepta-1,5-dienyl]ethanimidamide is C/C=C\CC/C(C)=C/N=C(C)/N=C/C.
What is the InChIKey of N-ethylidene-N'-[(1E,5Z)-2-methylhepta-1,5-dienyl]ethanimidamide?
The InChIKey is KAKDQQDVVSCEBO-LAKQKDEMSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-7-8-9-11(3)10-14-12(4)13-6-2/h5-7,10H,8-9H2,1-4H3/b7-5-,11-10+,13-6+,14-12+.
What are the key properties of N-ethylidene-N'-[(1E,5Z)-2-methylhepta-1,5-dienyl]ethanimidamide?
N-ethylidene-N'-[(1E,5Z)-2-methylhepta-1,5-dienyl]ethanimidamide has a molecular weight of 192.31 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylidene-N'-[(1E,5Z)-2-methylhepta-1,5-dienyl]ethanimidamide is sourced from PubChem (CID 134566816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).