(3Z,5Z)-4-(ethylideneamino)-N-methylhepta-1,3,5-trien-3-amine

C10H16N2 — CID 88986330

IUPAC(3Z,5Z)-4-(ethylideneamino)-N-methylhepta-1,3,5-trien-3-amine
SMILESC=C/C(NC)=C(\C=C/C)/N=C/C
InChIInChI=1S/C10H16N2/c1-5-8-10(12-7-3)9(6-2)11-4/h5-8,11H,2H2,1,3-4H3/b8-5-,10-9-,12-7+
InChIKeyVKSITKJDCYXHFM-YZZVZXFNSA-N
MW164.25 g/mol
LogP2.27
Rot. Bonds4

About (3Z,5Z)-4-(ethylideneamino)-N-methylhepta-1,3,5-trien-3-amine

(3Z,5Z)-4-(ethylideneamino)-N-methylhepta-1,3,5-trien-3-amine (PubChem CID 88986330) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (3Z,5Z)-4-(ethylideneamino)-N-methylhepta-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3Z,5Z)-4-(ethylideneamino)-N-methylhepta-1,3,5-trien-3-amine
PubChem CID88986330
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(3Z,5Z)-4-(ethylideneamino)-N-methylhepta-1,3,5-trien-3-amine
SMILESC=C/C(NC)=C(\C=C/C)/N=C/C
InChIInChI=1S/C10H16N2/c1-5-8-10(12-7-3)9(6-2)11-4/h5-8,11H,2H2,1,3-4H3/b8-5-,10-9-,12-7+
InChIKeyVKSITKJDCYXHFM-YZZVZXFNSA-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 (3Z,5Z)-4-(ethylideneamino)-N-methylhepta-1,3,5-trien-3-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 (3Z,5Z)-4-(ethylideneamino)-N-methylhepta-1,3,5-trien-3-amine?
The IUPAC name of (3Z,5Z)-4-(ethylideneamino)-N-methylhepta-1,3,5-trien-3-amine (CID 88986330) is (3Z,5Z)-4-(ethylideneamino)-N-methylhepta-1,3,5-trien-3-amine.
What is the SMILES notation for (3Z,5Z)-4-(ethylideneamino)-N-methylhepta-1,3,5-trien-3-amine?
The canonical SMILES for (3Z,5Z)-4-(ethylideneamino)-N-methylhepta-1,3,5-trien-3-amine is C=C/C(NC)=C(\C=C/C)/N=C/C.
What is the InChIKey of (3Z,5Z)-4-(ethylideneamino)-N-methylhepta-1,3,5-trien-3-amine?
The InChIKey is VKSITKJDCYXHFM-YZZVZXFNSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-8-10(12-7-3)9(6-2)11-4/h5-8,11H,2H2,1,3-4H3/b8-5-,10-9-,12-7+.
What are the key properties of (3Z,5Z)-4-(ethylideneamino)-N-methylhepta-1,3,5-trien-3-amine?
(3Z,5Z)-4-(ethylideneamino)-N-methylhepta-1,3,5-trien-3-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 (3Z,5Z)-4-(ethylideneamino)-N-methylhepta-1,3,5-trien-3-amine is sourced from PubChem (CID 88986330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).