N'-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]methanimidamide

C9H14N2 — CID 146259124

IUPACN'-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]methanimidamide
SMILESC=C/C=C(C)\C(=C/C)\N=C\N
InChIInChI=1S/C9H14N2/c1-4-6-8(3)9(5-2)11-7-10/h4-7H,1H2,2-3H3,(H2,10,11)/b8-6-,9-5+
InChIKeyZCWRGEXWQJWCIX-POEMVANMSA-N
MW150.22 g/mol
LogP2.01
Rot. Bonds3

About N'-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]methanimidamide

N'-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]methanimidamide (PubChem CID 146259124) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N'-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]methanimidamide.

Molecular Properties

Compound NameN'-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]methanimidamide
PubChem CID146259124
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN'-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]methanimidamide
SMILESC=C/C=C(C)\C(=C/C)\N=C\N
InChIInChI=1S/C9H14N2/c1-4-6-8(3)9(5-2)11-7-10/h4-7H,1H2,2-3H3,(H2,10,11)/b8-6-,9-5+
InChIKeyZCWRGEXWQJWCIX-POEMVANMSA-N
XLogP2.01
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.01
H-Bond Donors ≤ 51
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': 'polyene', 'substructure': 'N/A'}

Analyze N'-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]methanimidamide 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'-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]methanimidamide?
The IUPAC name of N'-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]methanimidamide (CID 146259124) is N'-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]methanimidamide.
What is the SMILES notation for N'-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]methanimidamide?
The canonical SMILES for N'-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]methanimidamide is C=C/C=C(C)\C(=C/C)\N=C\N.
What is the InChIKey of N'-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]methanimidamide?
The InChIKey is ZCWRGEXWQJWCIX-POEMVANMSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-6-8(3)9(5-2)11-7-10/h4-7H,1H2,2-3H3,(H2,10,11)/b8-6-,9-5+.
What are the key properties of N'-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]methanimidamide?
N'-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]methanimidamide has a molecular weight of 150.22 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]methanimidamide is sourced from PubChem (CID 146259124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).