N-[(E)-2-cyclohexa-1,3-dien-1-yl-1-phenylethenyl]butan-1-amine

C18H23N — CID 143156718

IUPACN-[(E)-2-cyclohexa-1,3-dien-1-yl-1-phenylethenyl]butan-1-amine
SMILESCCCCN/C(=C/C1=CC=CCC1)c1ccccc1
InChIInChI=1S/C18H23N/c1-2-3-14-19-18(17-12-8-5-9-13-17)15-16-10-6-4-7-11-16/h4-6,8-10,12-13,15,19H,2-3,7,11,14H2,1H3/b18-15+
InChIKeyWICMKJWOQIXECP-OBGWFSINSA-N
MW253.39 g/mol
LogP4.69
Rot. Bonds6

About N-[(E)-2-cyclohexa-1,3-dien-1-yl-1-phenylethenyl]butan-1-amine

N-[(E)-2-cyclohexa-1,3-dien-1-yl-1-phenylethenyl]butan-1-amine (PubChem CID 143156718) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[(E)-2-cyclohexa-1,3-dien-1-yl-1-phenylethenyl]butan-1-amine.

Molecular Properties

Compound NameN-[(E)-2-cyclohexa-1,3-dien-1-yl-1-phenylethenyl]butan-1-amine
PubChem CID143156718
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-[(E)-2-cyclohexa-1,3-dien-1-yl-1-phenylethenyl]butan-1-amine
SMILESCCCCN/C(=C/C1=CC=CCC1)c1ccccc1
InChIInChI=1S/C18H23N/c1-2-3-14-19-18(17-12-8-5-9-13-17)15-16-10-6-4-7-11-16/h4-6,8-10,12-13,15,19H,2-3,7,11,14H2,1H3/b18-15+
InChIKeyWICMKJWOQIXECP-OBGWFSINSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-1,2-diphenylethenyl]butan-1-amine
CID 143156717
(Z)-1-(butylamino)-2-phenylethenol
CID 134892949
N-butylcyclohexa-1,3-dien-1-amine
CID 144722191
N-butyl-2-oxo-2-phenylacetamide;2-oxoacetamide
CID 88801983
N-[4-(butylamino)-4-oxobutyl]benzamide
CID 78795173
cyclohexa-1,3-dien-1-yl benzoate;propyl formate
CID 174942996
2-(cyclohexen-1-ylmethylidene)-1-phenylicosane-1,3-dione
CID 57270631
cyclohexa-1,3-dien-1-ylmethyl N-pentylcarbamate
CID 169149930
1-N-butyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108971062
phenyl (Z)-3-(butylamino)-3-pyridin-4-ylprop-2-enedithioate
CID 44890661
(E)-1-N-butyl-1-N',2-diphenylethene-1,1-diamine
CID 177403210
N-(3-phenylbut-2-en-2-yl)dodecan-1-amine
CID 157062948

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-cyclohexa-1,3-dien-1-yl-1-phenylethenyl]butan-1-amine?
The IUPAC name of N-[(E)-2-cyclohexa-1,3-dien-1-yl-1-phenylethenyl]butan-1-amine (CID 143156718) is N-[(E)-2-cyclohexa-1,3-dien-1-yl-1-phenylethenyl]butan-1-amine.
What is the SMILES notation for N-[(E)-2-cyclohexa-1,3-dien-1-yl-1-phenylethenyl]butan-1-amine?
The canonical SMILES for N-[(E)-2-cyclohexa-1,3-dien-1-yl-1-phenylethenyl]butan-1-amine is CCCCN/C(=C/C1=CC=CCC1)c1ccccc1.
What is the InChIKey of N-[(E)-2-cyclohexa-1,3-dien-1-yl-1-phenylethenyl]butan-1-amine?
The InChIKey is WICMKJWOQIXECP-OBGWFSINSA-N. The full InChI is InChI=1S/C18H23N/c1-2-3-14-19-18(17-12-8-5-9-13-17)15-16-10-6-4-7-11-16/h4-6,8-10,12-13,15,19H,2-3,7,11,14H2,1H3/b18-15+.
What are the key properties of N-[(E)-2-cyclohexa-1,3-dien-1-yl-1-phenylethenyl]butan-1-amine?
N-[(E)-2-cyclohexa-1,3-dien-1-yl-1-phenylethenyl]butan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-cyclohexa-1,3-dien-1-yl-1-phenylethenyl]butan-1-amine is sourced from PubChem (CID 143156718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).