(3Z)-N-[1-(2-ethylphenyl)ethenyl]hexa-1,3-dien-2-amine

C16H21N — CID 134182642

IUPAC(3Z)-N-[1-(2-ethylphenyl)ethenyl]hexa-1,3-dien-2-amine
SMILESC=C(/C=C\CC)NC(=C)c1ccccc1CC
InChIInChI=1S/C16H21N/c1-5-7-10-13(3)17-14(4)16-12-9-8-11-15(16)6-2/h7-12,17H,3-6H2,1-2H3/b10-7-
InChIKeyAEKUYUBAQSBRLT-YFHOEESVSA-N
MW227.35 g/mol
LogP4.29
Rot. Bonds6

About (3Z)-N-[1-(2-ethylphenyl)ethenyl]hexa-1,3-dien-2-amine

(3Z)-N-[1-(2-ethylphenyl)ethenyl]hexa-1,3-dien-2-amine (PubChem CID 134182642) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is (3Z)-N-[1-(2-ethylphenyl)ethenyl]hexa-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-N-[1-(2-ethylphenyl)ethenyl]hexa-1,3-dien-2-amine
PubChem CID134182642
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name(3Z)-N-[1-(2-ethylphenyl)ethenyl]hexa-1,3-dien-2-amine
SMILESC=C(/C=C\CC)NC(=C)c1ccccc1CC
InChIInChI=1S/C16H21N/c1-5-7-10-13(3)17-14(4)16-12-9-8-11-15(16)6-2/h7-12,17H,3-6H2,1-2H3/b10-7-
InChIKeyAEKUYUBAQSBRLT-YFHOEESVSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 173350978
(E)-1-(2-fluorophenyl)pent-2-en-1-one
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CID 23333077
1-ethyl-2-(3-phenylbuta-1,3-dien-2-yl)benzene
CID 22151876
ethane;fluoromethane;(Z)-3-methylidene-1-phenylhept-4-ene-1,2-dione
CID 145449953
4-bromo-3-[1-(2-ethylphenyl)ethenylamino]-1H-pyrazole-5-carbaldehyde
CID 142965388
(Z)-1-phenylpent-2-en-1-one
CID 91998885
ethane;(2E,4Z)-N-(3-phenylprop-1-en-2-yl)hepta-2,4-dien-3-amine
CID 142957611
2-ethylbenzoic acid;tungsten
CID 23518478
(E)-1-(2-methylphenyl)hex-3-en-2-one
CID 103454249
1,2-diethylbenzene;propa-1,2-diene
CID 174831347
(E)-1-(2-bromophenyl)hex-3-en-2-one
CID 103454323

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-[1-(2-ethylphenyl)ethenyl]hexa-1,3-dien-2-amine?
The IUPAC name of (3Z)-N-[1-(2-ethylphenyl)ethenyl]hexa-1,3-dien-2-amine (CID 134182642) is (3Z)-N-[1-(2-ethylphenyl)ethenyl]hexa-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-N-[1-(2-ethylphenyl)ethenyl]hexa-1,3-dien-2-amine?
The canonical SMILES for (3Z)-N-[1-(2-ethylphenyl)ethenyl]hexa-1,3-dien-2-amine is C=C(/C=C\CC)NC(=C)c1ccccc1CC.
What is the InChIKey of (3Z)-N-[1-(2-ethylphenyl)ethenyl]hexa-1,3-dien-2-amine?
The InChIKey is AEKUYUBAQSBRLT-YFHOEESVSA-N. The full InChI is InChI=1S/C16H21N/c1-5-7-10-13(3)17-14(4)16-12-9-8-11-15(16)6-2/h7-12,17H,3-6H2,1-2H3/b10-7-.
What are the key properties of (3Z)-N-[1-(2-ethylphenyl)ethenyl]hexa-1,3-dien-2-amine?
(3Z)-N-[1-(2-ethylphenyl)ethenyl]hexa-1,3-dien-2-amine has a molecular weight of 227.35 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-[1-(2-ethylphenyl)ethenyl]hexa-1,3-dien-2-amine is sourced from PubChem (CID 134182642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).