(1E,3Z)-N,4-dimethyl-5-[(methylideneamino)-λ3-iodanylidene]penta-1,3-dien-1-amine

C8H13IN2 — CID 88900185

IUPAC(1E,3Z)-N,4-dimethyl-5-[(methylideneamino)-λ3-iodanylidene]penta-1,3-dien-1-amine
SMILESC=N/I=C/C(C)=C\C=C\NC
InChIInChI=1S/C8H13IN2/c1-8(7-9-11-3)5-4-6-10-2/h4-7,10H,3H2,1-2H3/b6-4+,8-5-
InChIKeyOLKZXFJLDRZJCC-NDWVUGOJSA-N
MW264.11 g/mol
LogP2.05
Rot. Bonds4

About (1E,3Z)-N,4-dimethyl-5-[(methylideneamino)-λ3-iodanylidene]penta-1,3-dien-1-amine

(1E,3Z)-N,4-dimethyl-5-[(methylideneamino)-λ3-iodanylidene]penta-1,3-dien-1-amine (PubChem CID 88900185) has the molecular formula C8H13IN2 and a molecular weight of 264.11 g/mol. Its IUPAC name is (1E,3Z)-N,4-dimethyl-5-[(methylideneamino)-λ3-iodanylidene]penta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-N,4-dimethyl-5-[(methylideneamino)-λ3-iodanylidene]penta-1,3-dien-1-amine
PubChem CID88900185
Molecular FormulaC8H13IN2
Molecular Weight264.11 g/mol
Exact Mass264.01
IUPAC Name(1E,3Z)-N,4-dimethyl-5-[(methylideneamino)-λ3-iodanylidene]penta-1,3-dien-1-amine
SMILESC=N/I=C/C(C)=C\C=C\NC
InChIInChI=1S/C8H13IN2/c1-8(7-9-11-3)5-4-6-10-2/h4-7,10H,3H2,1-2H3/b6-4+,8-5-
InChIKeyOLKZXFJLDRZJCC-NDWVUGOJSA-N
XLogP2.05
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1E,3Z)-N,4-dimethyl-5-[(methylideneamino)-λ3-iodanylidene]penta-1,3-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 (1E,3Z)-N,4-dimethyl-5-[(methylideneamino)-λ3-iodanylidene]penta-1,3-dien-1-amine?
The IUPAC name of (1E,3Z)-N,4-dimethyl-5-[(methylideneamino)-λ3-iodanylidene]penta-1,3-dien-1-amine (CID 88900185) is (1E,3Z)-N,4-dimethyl-5-[(methylideneamino)-λ3-iodanylidene]penta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3Z)-N,4-dimethyl-5-[(methylideneamino)-λ3-iodanylidene]penta-1,3-dien-1-amine?
The canonical SMILES for (1E,3Z)-N,4-dimethyl-5-[(methylideneamino)-λ3-iodanylidene]penta-1,3-dien-1-amine is C=N/I=C/C(C)=C\C=C\NC.
What is the InChIKey of (1E,3Z)-N,4-dimethyl-5-[(methylideneamino)-λ3-iodanylidene]penta-1,3-dien-1-amine?
The InChIKey is OLKZXFJLDRZJCC-NDWVUGOJSA-N. The full InChI is InChI=1S/C8H13IN2/c1-8(7-9-11-3)5-4-6-10-2/h4-7,10H,3H2,1-2H3/b6-4+,8-5-.
What are the key properties of (1E,3Z)-N,4-dimethyl-5-[(methylideneamino)-λ3-iodanylidene]penta-1,3-dien-1-amine?
(1E,3Z)-N,4-dimethyl-5-[(methylideneamino)-λ3-iodanylidene]penta-1,3-dien-1-amine has a molecular weight of 264.11 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-N,4-dimethyl-5-[(methylideneamino)-λ3-iodanylidene]penta-1,3-dien-1-amine is sourced from PubChem (CID 88900185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).