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

C17H25N — CID 13204017

IUPAC(1E,3E)-8-cyclopenta-2,4-dien-1-ylidene-N,N-diethylocta-1,3-dien-1-amine
SMILESCCN(/C=C/C=C/CCCC=C1C=CC=C1)CC
InChIInChI=1S/C17H25N/c1-3-18(4-2)16-12-8-6-5-7-9-13-17-14-10-11-15-17/h6,8,10-16H,3-5,7,9H2,1-2H3/b8-6+,16-12+
InChIKeyXCZVYCIGGZHNBG-YUDPATCQSA-N
MW243.39 g/mol
LogP4.62
Rot. Bonds8

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

(1E,3E)-8-cyclopenta-2,4-dien-1-ylidene-N,N-diethylocta-1,3-dien-1-amine (PubChem CID 13204017) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is (1E,3E)-8-cyclopenta-2,4-dien-1-ylidene-N,N-diethylocta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3E)-8-cyclopenta-2,4-dien-1-ylidene-N,N-diethylocta-1,3-dien-1-amine
PubChem CID13204017
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name(1E,3E)-8-cyclopenta-2,4-dien-1-ylidene-N,N-diethylocta-1,3-dien-1-amine
SMILESCCN(/C=C/C=C/CCCC=C1C=CC=C1)CC
InChIInChI=1S/C17H25N/c1-3-18(4-2)16-12-8-6-5-7-9-13-17-14-10-11-15-17/h6,8,10-16H,3-5,7,9H2,1-2H3/b8-6+,16-12+
InChIKeyXCZVYCIGGZHNBG-YUDPATCQSA-N
XLogP4.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.62
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-diethylocta-1,3-dien-1-amine with MolForge

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Related Compounds

6-(Dimethylamino)fulvene
CID 136523
(E)-6-[2-(dimethylamino)ethenyl]-fulvene
CID 13280603
N-(dimethyloctadienyl)diethylamine
CID 129811778
(1E,3E)-8-cyclopenta-2,4-dien-1-ylidene-N,N-diethylnona-1,3-dien-1-amine
CID 13204019
N,N-diethyl-3,7-dimethylocta-1,3-dienylamine
CID 85860019
2-Propenyl-pentadienyl-dimethylamin
CID 129649470
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
4-Cyclopenta-2,4-dien-1-ylidene-1-methylpyridine
CID 85734101
N-(cyclopenta-2,4-dien-1-ylidenemethyl)-N-ethylethanamine
CID 12618097
(1E,3E)-N,N,3,7-tetramethylocta-1,3-dien-1-amine
CID 14543743

Frequently Asked Questions

What is the IUPAC name of (1E,3E)-8-cyclopenta-2,4-dien-1-ylidene-N,N-diethylocta-1,3-dien-1-amine?
The IUPAC name of (1E,3E)-8-cyclopenta-2,4-dien-1-ylidene-N,N-diethylocta-1,3-dien-1-amine (CID 13204017) is (1E,3E)-8-cyclopenta-2,4-dien-1-ylidene-N,N-diethylocta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3E)-8-cyclopenta-2,4-dien-1-ylidene-N,N-diethylocta-1,3-dien-1-amine?
The canonical SMILES for (1E,3E)-8-cyclopenta-2,4-dien-1-ylidene-N,N-diethylocta-1,3-dien-1-amine is CCN(/C=C/C=C/CCCC=C1C=CC=C1)CC.
What is the InChIKey of (1E,3E)-8-cyclopenta-2,4-dien-1-ylidene-N,N-diethylocta-1,3-dien-1-amine?
The InChIKey is XCZVYCIGGZHNBG-YUDPATCQSA-N. The full InChI is InChI=1S/C17H25N/c1-3-18(4-2)16-12-8-6-5-7-9-13-17-14-10-11-15-17/h6,8,10-16H,3-5,7,9H2,1-2H3/b8-6+,16-12+.
What are the key properties of (1E,3E)-8-cyclopenta-2,4-dien-1-ylidene-N,N-diethylocta-1,3-dien-1-amine?
(1E,3E)-8-cyclopenta-2,4-dien-1-ylidene-N,N-diethylocta-1,3-dien-1-amine has a molecular weight of 243.39 g/mol, XLogP of 4.62, 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-diethylocta-1,3-dien-1-amine is sourced from PubChem (CID 13204017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).