N,3-diethyl-N-[(3E)-3-ethyl-5-ethyliminopenta-1,3-dien-2-yl]-4-propylcyclohepta-2,4,6-trien-1-amine

C23H36N2 — CID 167083507

IUPACN,3-diethyl-N-[(3E)-3-ethyl-5-ethyliminopenta-1,3-dien-2-yl]-4-propylcyclohepta-2,4,6-trien-1-amine
SMILESC=C(/C(=C/C=N/CC)CC)N(CC)C1C=CC=C(CCC)C(CC)=C1
InChIInChI=1S/C23H36N2/c1-7-13-22-14-12-15-23(18-21(22)9-3)25(11-5)19(6)20(8-2)16-17-24-10-4/h12,14-18,23H,6-11,13H2,1-5H3/b20-16+,24-17+
InChIKeyDJZSKRUEDDSKDJ-LHQWZPQHSA-N
MW340.56 g/mol
LogP6.25
Rot. Bonds10

About N,3-diethyl-N-[(3E)-3-ethyl-5-ethyliminopenta-1,3-dien-2-yl]-4-propylcyclohepta-2,4,6-trien-1-amine

N,3-diethyl-N-[(3E)-3-ethyl-5-ethyliminopenta-1,3-dien-2-yl]-4-propylcyclohepta-2,4,6-trien-1-amine (PubChem CID 167083507) has the molecular formula C23H36N2 and a molecular weight of 340.56 g/mol. Its IUPAC name is N,3-diethyl-N-[(3E)-3-ethyl-5-ethyliminopenta-1,3-dien-2-yl]-4-propylcyclohepta-2,4,6-trien-1-amine.

Molecular Properties

Compound NameN,3-diethyl-N-[(3E)-3-ethyl-5-ethyliminopenta-1,3-dien-2-yl]-4-propylcyclohepta-2,4,6-trien-1-amine
PubChem CID167083507
Molecular FormulaC23H36N2
Molecular Weight340.56 g/mol
Exact Mass340.29
IUPAC NameN,3-diethyl-N-[(3E)-3-ethyl-5-ethyliminopenta-1,3-dien-2-yl]-4-propylcyclohepta-2,4,6-trien-1-amine
SMILESC=C(/C(=C/C=N/CC)CC)N(CC)C1C=CC=C(CCC)C(CC)=C1
InChIInChI=1S/C23H36N2/c1-7-13-22-14-12-15-23(18-21(22)9-3)25(11-5)19(6)20(8-2)16-17-24-10-4/h12,14-18,23H,6-11,13H2,1-5H3/b20-16+,24-17+
InChIKeyDJZSKRUEDDSKDJ-LHQWZPQHSA-N
XLogP6.25
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.56
LogP ≤ 56.25
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 N,3-diethyl-N-[(3E)-3-ethyl-5-ethyliminopenta-1,3-dien-2-yl]-4-propylcyclohepta-2,4,6-trien-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,3-diethyl-N-[(3E)-3-ethyl-5-ethyliminopenta-1,3-dien-2-yl]-4-propylcyclohepta-2,4,6-trien-1-amine?
The IUPAC name of N,3-diethyl-N-[(3E)-3-ethyl-5-ethyliminopenta-1,3-dien-2-yl]-4-propylcyclohepta-2,4,6-trien-1-amine (CID 167083507) is N,3-diethyl-N-[(3E)-3-ethyl-5-ethyliminopenta-1,3-dien-2-yl]-4-propylcyclohepta-2,4,6-trien-1-amine.
What is the SMILES notation for N,3-diethyl-N-[(3E)-3-ethyl-5-ethyliminopenta-1,3-dien-2-yl]-4-propylcyclohepta-2,4,6-trien-1-amine?
The canonical SMILES for N,3-diethyl-N-[(3E)-3-ethyl-5-ethyliminopenta-1,3-dien-2-yl]-4-propylcyclohepta-2,4,6-trien-1-amine is C=C(/C(=C/C=N/CC)CC)N(CC)C1C=CC=C(CCC)C(CC)=C1.
What is the InChIKey of N,3-diethyl-N-[(3E)-3-ethyl-5-ethyliminopenta-1,3-dien-2-yl]-4-propylcyclohepta-2,4,6-trien-1-amine?
The InChIKey is DJZSKRUEDDSKDJ-LHQWZPQHSA-N. The full InChI is InChI=1S/C23H36N2/c1-7-13-22-14-12-15-23(18-21(22)9-3)25(11-5)19(6)20(8-2)16-17-24-10-4/h12,14-18,23H,6-11,13H2,1-5H3/b20-16+,24-17+.
What are the key properties of N,3-diethyl-N-[(3E)-3-ethyl-5-ethyliminopenta-1,3-dien-2-yl]-4-propylcyclohepta-2,4,6-trien-1-amine?
N,3-diethyl-N-[(3E)-3-ethyl-5-ethyliminopenta-1,3-dien-2-yl]-4-propylcyclohepta-2,4,6-trien-1-amine has a molecular weight of 340.56 g/mol, XLogP of 6.25, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-N-[(3E)-3-ethyl-5-ethyliminopenta-1,3-dien-2-yl]-4-propylcyclohepta-2,4,6-trien-1-amine is sourced from PubChem (CID 167083507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).