ethene;(5E)-5-ethylidene-4-phenyloct-1-en-3-amine

C18H27N — CID 145052903

IUPACethene;(5E)-5-ethylidene-4-phenyloct-1-en-3-amine
SMILESC=C.C=CC(N)C(/C(=C/C)CCC)c1ccccc1
InChIInChI=1S/C16H23N.C2H4/c1-4-10-13(5-2)16(15(17)6-3)14-11-8-7-9-12-14;1-2/h5-9,11-12,15-16H,3-4,10,17H2,1-2H3;1-2H2/b13-5+;
InChIKeyOJIIJFDRTFJQAQ-CMZQJCRFSA-N
MW257.42 g/mol
LogP4.83
Rot. Bonds6

About ethene;(5E)-5-ethylidene-4-phenyloct-1-en-3-amine

ethene;(5E)-5-ethylidene-4-phenyloct-1-en-3-amine (PubChem CID 145052903) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is ethene;(5E)-5-ethylidene-4-phenyloct-1-en-3-amine.

Molecular Properties

Compound Nameethene;(5E)-5-ethylidene-4-phenyloct-1-en-3-amine
PubChem CID145052903
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Nameethene;(5E)-5-ethylidene-4-phenyloct-1-en-3-amine
SMILESC=C.C=CC(N)C(/C(=C/C)CCC)c1ccccc1
InChIInChI=1S/C16H23N.C2H4/c1-4-10-13(5-2)16(15(17)6-3)14-11-8-7-9-12-14;1-2/h5-9,11-12,15-16H,3-4,10,17H2,1-2H3;1-2H2/b13-5+;
InChIKeyOJIIJFDRTFJQAQ-CMZQJCRFSA-N
XLogP4.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 86714915
pent-4-en-2-yl 3-amino-3-phenylpropanoate
CID 118867225
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CID 143604805
5-phenylhept-1-en-4-amine
CID 115814558
(1S,2R)-2-amino-1-phenylpropan-1-ol;formic acid
CID 118541105
N-(2-aminobutyl)-3-methyl-2-phenylpentanamide
CID 63731148
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CID 17627

Frequently Asked Questions

What is the IUPAC name of ethene;(5E)-5-ethylidene-4-phenyloct-1-en-3-amine?
The IUPAC name of ethene;(5E)-5-ethylidene-4-phenyloct-1-en-3-amine (CID 145052903) is ethene;(5E)-5-ethylidene-4-phenyloct-1-en-3-amine.
What is the SMILES notation for ethene;(5E)-5-ethylidene-4-phenyloct-1-en-3-amine?
The canonical SMILES for ethene;(5E)-5-ethylidene-4-phenyloct-1-en-3-amine is C=C.C=CC(N)C(/C(=C/C)CCC)c1ccccc1.
What is the InChIKey of ethene;(5E)-5-ethylidene-4-phenyloct-1-en-3-amine?
The InChIKey is OJIIJFDRTFJQAQ-CMZQJCRFSA-N. The full InChI is InChI=1S/C16H23N.C2H4/c1-4-10-13(5-2)16(15(17)6-3)14-11-8-7-9-12-14;1-2/h5-9,11-12,15-16H,3-4,10,17H2,1-2H3;1-2H2/b13-5+;.
What are the key properties of ethene;(5E)-5-ethylidene-4-phenyloct-1-en-3-amine?
ethene;(5E)-5-ethylidene-4-phenyloct-1-en-3-amine has a molecular weight of 257.42 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(5E)-5-ethylidene-4-phenyloct-1-en-3-amine is sourced from PubChem (CID 145052903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).