N-[(2E,4Z)-hepta-2,4-dien-3-yl]cyclohexa-1,5-dien-1-amine

C13H19N — CID 155239533

IUPACN-[(2E,4Z)-hepta-2,4-dien-3-yl]cyclohexa-1,5-dien-1-amine
SMILESC/C=C(\C=C/CC)NC1=CCCC=C1
InChIInChI=1S/C13H19N/c1-3-5-9-12(4-2)14-13-10-7-6-8-11-13/h4-5,7,9-11,14H,3,6,8H2,1-2H3/b9-5-,12-4+
InChIKeyDGRYXMSFLVNHHB-WQPWRAGBSA-N
MW189.30 g/mol
LogP3.68
Rot. Bonds4

About N-[(2E,4Z)-hepta-2,4-dien-3-yl]cyclohexa-1,5-dien-1-amine

N-[(2E,4Z)-hepta-2,4-dien-3-yl]cyclohexa-1,5-dien-1-amine (PubChem CID 155239533) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-[(2E,4Z)-hepta-2,4-dien-3-yl]cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN-[(2E,4Z)-hepta-2,4-dien-3-yl]cyclohexa-1,5-dien-1-amine
PubChem CID155239533
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-[(2E,4Z)-hepta-2,4-dien-3-yl]cyclohexa-1,5-dien-1-amine
SMILESC/C=C(\C=C/CC)NC1=CCCC=C1
InChIInChI=1S/C13H19N/c1-3-5-9-12(4-2)14-13-10-7-6-8-11-13/h4-5,7,9-11,14H,3,6,8H2,1-2H3/b9-5-,12-4+
InChIKeyDGRYXMSFLVNHHB-WQPWRAGBSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(2E,4Z)-hepta-2,4-dien-3-yl]cyclohexa-1,5-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 N-[(2E,4Z)-hepta-2,4-dien-3-yl]cyclohexa-1,5-dien-1-amine?
The IUPAC name of N-[(2E,4Z)-hepta-2,4-dien-3-yl]cyclohexa-1,5-dien-1-amine (CID 155239533) is N-[(2E,4Z)-hepta-2,4-dien-3-yl]cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N-[(2E,4Z)-hepta-2,4-dien-3-yl]cyclohexa-1,5-dien-1-amine?
The canonical SMILES for N-[(2E,4Z)-hepta-2,4-dien-3-yl]cyclohexa-1,5-dien-1-amine is C/C=C(\C=C/CC)NC1=CCCC=C1.
What is the InChIKey of N-[(2E,4Z)-hepta-2,4-dien-3-yl]cyclohexa-1,5-dien-1-amine?
The InChIKey is DGRYXMSFLVNHHB-WQPWRAGBSA-N. The full InChI is InChI=1S/C13H19N/c1-3-5-9-12(4-2)14-13-10-7-6-8-11-13/h4-5,7,9-11,14H,3,6,8H2,1-2H3/b9-5-,12-4+.
What are the key properties of N-[(2E,4Z)-hepta-2,4-dien-3-yl]cyclohexa-1,5-dien-1-amine?
N-[(2E,4Z)-hepta-2,4-dien-3-yl]cyclohexa-1,5-dien-1-amine has a molecular weight of 189.30 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-hepta-2,4-dien-3-yl]cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 155239533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).