N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]cyclohexanamine

C14H23N — CID 170104283

IUPACN-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]cyclohexanamine
SMILESC=C/C=C\C(=C/C)CNC1CCCCC1
InChIInChI=1S/C14H23N/c1-3-5-9-13(4-2)12-15-14-10-7-6-8-11-14/h3-5,9,14-15H,1,6-8,10-12H2,2H3/b9-5-,13-4+
InChIKeyNHVFKJTUXJXZNW-LUZXEPFRSA-N
MW205.35 g/mol
LogP3.60
Rot. Bonds5

About N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]cyclohexanamine

N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]cyclohexanamine (PubChem CID 170104283) has the molecular formula C14H23N and a molecular weight of 205.35 g/mol. Its IUPAC name is N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]cyclohexanamine
PubChem CID170104283
Molecular FormulaC14H23N
Molecular Weight205.35 g/mol
Exact Mass205.18
IUPAC NameN-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]cyclohexanamine
SMILESC=C/C=C\C(=C/C)CNC1CCCCC1
InChIInChI=1S/C14H23N/c1-3-5-9-13(4-2)12-15-14-10-7-6-8-11-14/h3-5,9,14-15H,1,6-8,10-12H2,2H3/b9-5-,13-4+
InChIKeyNHVFKJTUXJXZNW-LUZXEPFRSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]cyclohexanamine 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,3Z)-2-ethylidenehexa-3,5-dienyl]cyclohexanamine?
The IUPAC name of N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]cyclohexanamine (CID 170104283) is N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]cyclohexanamine.
What is the SMILES notation for N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]cyclohexanamine?
The canonical SMILES for N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]cyclohexanamine is C=C/C=C\C(=C/C)CNC1CCCCC1.
What is the InChIKey of N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]cyclohexanamine?
The InChIKey is NHVFKJTUXJXZNW-LUZXEPFRSA-N. The full InChI is InChI=1S/C14H23N/c1-3-5-9-13(4-2)12-15-14-10-7-6-8-11-14/h3-5,9,14-15H,1,6-8,10-12H2,2H3/b9-5-,13-4+.
What are the key properties of N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]cyclohexanamine?
N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]cyclohexanamine has a molecular weight of 205.35 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]cyclohexanamine is sourced from PubChem (CID 170104283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).