(3E,5E)-N,5-dimethyl-3-(methylideneamino)hepta-1,3,5-trien-2-amine

C10H16N2 — CID 137457994

IUPAC(3E,5E)-N,5-dimethyl-3-(methylideneamino)hepta-1,3,5-trien-2-amine
SMILESC=N/C(=C/C(C)=C/C)C(=C)NC
InChIInChI=1S/C10H16N2/c1-6-8(2)7-10(12-5)9(3)11-4/h6-7,11H,3,5H2,1-2,4H3/b8-6+,10-7+
InChIKeyVDNYSBPBZFKVFF-NBANWCDVSA-N
MW164.25 g/mol
LogP2.27
Rot. Bonds4

About (3E,5E)-N,5-dimethyl-3-(methylideneamino)hepta-1,3,5-trien-2-amine

(3E,5E)-N,5-dimethyl-3-(methylideneamino)hepta-1,3,5-trien-2-amine (PubChem CID 137457994) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (3E,5E)-N,5-dimethyl-3-(methylideneamino)hepta-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3E,5E)-N,5-dimethyl-3-(methylideneamino)hepta-1,3,5-trien-2-amine
PubChem CID137457994
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(3E,5E)-N,5-dimethyl-3-(methylideneamino)hepta-1,3,5-trien-2-amine
SMILESC=N/C(=C/C(C)=C/C)C(=C)NC
InChIInChI=1S/C10H16N2/c1-6-8(2)7-10(12-5)9(3)11-4/h6-7,11H,3,5H2,1-2,4H3/b8-6+,10-7+
InChIKeyVDNYSBPBZFKVFF-NBANWCDVSA-N
XLogP2.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E,5E)-N,5-dimethyl-3-(methylideneamino)hepta-1,3,5-trien-2-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 (3E,5E)-N,5-dimethyl-3-(methylideneamino)hepta-1,3,5-trien-2-amine?
The IUPAC name of (3E,5E)-N,5-dimethyl-3-(methylideneamino)hepta-1,3,5-trien-2-amine (CID 137457994) is (3E,5E)-N,5-dimethyl-3-(methylideneamino)hepta-1,3,5-trien-2-amine.
What is the SMILES notation for (3E,5E)-N,5-dimethyl-3-(methylideneamino)hepta-1,3,5-trien-2-amine?
The canonical SMILES for (3E,5E)-N,5-dimethyl-3-(methylideneamino)hepta-1,3,5-trien-2-amine is C=N/C(=C/C(C)=C/C)C(=C)NC.
What is the InChIKey of (3E,5E)-N,5-dimethyl-3-(methylideneamino)hepta-1,3,5-trien-2-amine?
The InChIKey is VDNYSBPBZFKVFF-NBANWCDVSA-N. The full InChI is InChI=1S/C10H16N2/c1-6-8(2)7-10(12-5)9(3)11-4/h6-7,11H,3,5H2,1-2,4H3/b8-6+,10-7+.
What are the key properties of (3E,5E)-N,5-dimethyl-3-(methylideneamino)hepta-1,3,5-trien-2-amine?
(3E,5E)-N,5-dimethyl-3-(methylideneamino)hepta-1,3,5-trien-2-amine has a molecular weight of 164.25 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-N,5-dimethyl-3-(methylideneamino)hepta-1,3,5-trien-2-amine is sourced from PubChem (CID 137457994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).