(1E,3E)-8-cyclopenta-2,4-dien-1-ylidene-N,N-diethylnona-1,3-dien-1-amine

C18H27N — CID 13204019

IUPAC(1E,3E)-8-cyclopenta-2,4-dien-1-ylidene-N,N-diethylnona-1,3-dien-1-amine
SMILESCCN(/C=C/C=C/CCCC(C)=C1C=CC=C1)CC
InChIInChI=1S/C18H27N/c1-4-19(5-2)16-12-8-6-7-9-13-17(3)18-14-10-11-15-18/h6,8,10-12,14-16H,4-5,7,9,13H2,1-3H3/b8-6+,16-12+
InChIKeyAEJYUZHRFVTUGQ-YUDPATCQSA-N
MW257.42 g/mol
LogP5.01
Rot. Bonds8

About (1E,3E)-8-cyclopenta-2,4-dien-1-ylidene-N,N-diethylnona-1,3-dien-1-amine

(1E,3E)-8-cyclopenta-2,4-dien-1-ylidene-N,N-diethylnona-1,3-dien-1-amine (PubChem CID 13204019) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is (1E,3E)-8-cyclopenta-2,4-dien-1-ylidene-N,N-diethylnona-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3E)-8-cyclopenta-2,4-dien-1-ylidene-N,N-diethylnona-1,3-dien-1-amine
PubChem CID13204019
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name(1E,3E)-8-cyclopenta-2,4-dien-1-ylidene-N,N-diethylnona-1,3-dien-1-amine
SMILESCCN(/C=C/C=C/CCCC(C)=C1C=CC=C1)CC
InChIInChI=1S/C18H27N/c1-4-19(5-2)16-12-8-6-7-9-13-17(3)18-14-10-11-15-18/h6,8,10-12,14-16H,4-5,7,9,13H2,1-3H3/b8-6+,16-12+
InChIKeyAEJYUZHRFVTUGQ-YUDPATCQSA-N
XLogP5.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.42
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1E,3E)-8-cyclopenta-2,4-dien-1-ylidene-N,N-diethylnona-1,3-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

Related Compounds

(E)-6-[2-(dimethylamino)ethenyl]-fulvene
CID 13280603
(1E,3E)-8-cyclopenta-2,4-dien-1-ylidene-N,N-diethylocta-1,3-dien-1-amine
CID 13204017
N,N-diethyl-3,7-dimethylocta-1,3-dienylamine
CID 85860019
1-Diethylamino-3,7-dimethyl-1,3,6-octatriene
CID 129879066
1-Diethylamino-7-methyl-3-methylene-1,6-octadiene
CID 129879654
(E)-6-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylhex-1-en-1-amine
CID 134944969
CID 164673417
CID 164673417
N-(cyclopenta-2,4-dien-1-ylidenemethyl)-N-ethylethanamine
CID 12618097
(1E,3E)-N,N-bis[(1E,3E)-octa-1,3-dienyl]octa-1,3-dien-1-amine
CID 22755519
1-(2,3-dimethylcyclopenta-2,4-dien-1-ylidene)-N,N-dimethylmethanamine
CID 53841229
N-(cyclohex-2-en-1-ylidenemethyl)-N-prop-2-enylprop-2-en-1-amine
CID 53990286
3-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylprop-1-en-1-amine
CID 54071493

Frequently Asked Questions

What is the IUPAC name of (1E,3E)-8-cyclopenta-2,4-dien-1-ylidene-N,N-diethylnona-1,3-dien-1-amine?
The IUPAC name of (1E,3E)-8-cyclopenta-2,4-dien-1-ylidene-N,N-diethylnona-1,3-dien-1-amine (CID 13204019) is (1E,3E)-8-cyclopenta-2,4-dien-1-ylidene-N,N-diethylnona-1,3-dien-1-amine.
What is the SMILES notation for (1E,3E)-8-cyclopenta-2,4-dien-1-ylidene-N,N-diethylnona-1,3-dien-1-amine?
The canonical SMILES for (1E,3E)-8-cyclopenta-2,4-dien-1-ylidene-N,N-diethylnona-1,3-dien-1-amine is CCN(/C=C/C=C/CCCC(C)=C1C=CC=C1)CC.
What is the InChIKey of (1E,3E)-8-cyclopenta-2,4-dien-1-ylidene-N,N-diethylnona-1,3-dien-1-amine?
The InChIKey is AEJYUZHRFVTUGQ-YUDPATCQSA-N. The full InChI is InChI=1S/C18H27N/c1-4-19(5-2)16-12-8-6-7-9-13-17(3)18-14-10-11-15-18/h6,8,10-12,14-16H,4-5,7,9,13H2,1-3H3/b8-6+,16-12+.
What are the key properties of (1E,3E)-8-cyclopenta-2,4-dien-1-ylidene-N,N-diethylnona-1,3-dien-1-amine?
(1E,3E)-8-cyclopenta-2,4-dien-1-ylidene-N,N-diethylnona-1,3-dien-1-amine has a molecular weight of 257.42 g/mol, XLogP of 5.01, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-8-cyclopenta-2,4-dien-1-ylidene-N,N-diethylnona-1,3-dien-1-amine is sourced from PubChem (CID 13204019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).