(1Z,3E)-N,N-dimethyl-2-(methylideneamino)hepta-1,3-dien-1-amine

C10H18N2 — CID 89245508

IUPAC(1Z,3E)-N,N-dimethyl-2-(methylideneamino)hepta-1,3-dien-1-amine
SMILESC=NC(=C\N(C)C)/C=C/CCC
InChIInChI=1S/C10H18N2/c1-5-6-7-8-10(11-2)9-12(3)4/h7-9H,2,5-6H2,1,3-4H3/b8-7+,10-9-
InChIKeyVBDZJPCSGAFURZ-GOJKSUSPSA-N
MW166.27 g/mol
LogP2.45
Rot. Bonds5

About (1Z,3E)-N,N-dimethyl-2-(methylideneamino)hepta-1,3-dien-1-amine

(1Z,3E)-N,N-dimethyl-2-(methylideneamino)hepta-1,3-dien-1-amine (PubChem CID 89245508) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (1Z,3E)-N,N-dimethyl-2-(methylideneamino)hepta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-N,N-dimethyl-2-(methylideneamino)hepta-1,3-dien-1-amine
PubChem CID89245508
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(1Z,3E)-N,N-dimethyl-2-(methylideneamino)hepta-1,3-dien-1-amine
SMILESC=NC(=C\N(C)C)/C=C/CCC
InChIInChI=1S/C10H18N2/c1-5-6-7-8-10(11-2)9-12(3)4/h7-9H,2,5-6H2,1,3-4H3/b8-7+,10-9-
InChIKeyVBDZJPCSGAFURZ-GOJKSUSPSA-N
XLogP2.45
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1Z,3E)-N,N-dimethyl-2-(methylideneamino)hepta-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 (1Z,3E)-N,N-dimethyl-2-(methylideneamino)hepta-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-N,N-dimethyl-2-(methylideneamino)hepta-1,3-dien-1-amine (CID 89245508) is (1Z,3E)-N,N-dimethyl-2-(methylideneamino)hepta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-N,N-dimethyl-2-(methylideneamino)hepta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-N,N-dimethyl-2-(methylideneamino)hepta-1,3-dien-1-amine is C=NC(=C\N(C)C)/C=C/CCC.
What is the InChIKey of (1Z,3E)-N,N-dimethyl-2-(methylideneamino)hepta-1,3-dien-1-amine?
The InChIKey is VBDZJPCSGAFURZ-GOJKSUSPSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-6-7-8-10(11-2)9-12(3)4/h7-9H,2,5-6H2,1,3-4H3/b8-7+,10-9-.
What are the key properties of (1Z,3E)-N,N-dimethyl-2-(methylideneamino)hepta-1,3-dien-1-amine?
(1Z,3E)-N,N-dimethyl-2-(methylideneamino)hepta-1,3-dien-1-amine has a molecular weight of 166.27 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-N,N-dimethyl-2-(methylideneamino)hepta-1,3-dien-1-amine is sourced from PubChem (CID 89245508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).