ethenamine;1-ethyl-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene;2-methylprop-1-ene;prop-1-ene

C26H42N2 — CID 142077312

IUPACethenamine;1-ethyl-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene;2-methylprop-1-ene;prop-1-ene
SMILESC=C(C)C.C=C/C=C\C(=C/C)c1cccc(CC)c1.C=CC.C=CN.C=CN
InChIInChI=1S/C15H18.C4H8.C3H6.2C2H5N/c1-4-7-10-14(6-3)15-11-8-9-13(5-2)12-15;1-4(2)3;1-3-2;2*1-2-3/h4,6-12H,1,5H2,2-3H3;1H2,2-3H3;3H,1H2,2H3;2*2H,1,3H2/b10-7-,14-6+;;;;
InChIKeyMIQQRAGVDCHPEP-NOAQWTMXSA-N
MW382.64 g/mol
LogP7.35
Rot. Bonds4

About ethenamine;1-ethyl-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene;2-methylprop-1-ene;prop-1-ene

ethenamine;1-ethyl-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene;2-methylprop-1-ene;prop-1-ene (PubChem CID 142077312) has the molecular formula C26H42N2 and a molecular weight of 382.64 g/mol. Its IUPAC name is ethenamine;1-ethyl-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene;2-methylprop-1-ene;prop-1-ene.

Molecular Properties

Compound Nameethenamine;1-ethyl-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene;2-methylprop-1-ene;prop-1-ene
PubChem CID142077312
Molecular FormulaC26H42N2
Molecular Weight382.64 g/mol
Exact Mass382.33
IUPAC Nameethenamine;1-ethyl-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene;2-methylprop-1-ene;prop-1-ene
SMILESC=C(C)C.C=C/C=C\C(=C/C)c1cccc(CC)c1.C=CC.C=CN.C=CN
InChIInChI=1S/C15H18.C4H8.C3H6.2C2H5N/c1-4-7-10-14(6-3)15-11-8-9-13(5-2)12-15;1-4(2)3;1-3-2;2*1-2-3/h4,6-12H,1,5H2,2-3H3;1H2,2-3H3;3H,1H2,2H3;2*2H,1,3H2/b10-7-,14-6+;;;;
InChIKeyMIQQRAGVDCHPEP-NOAQWTMXSA-N
XLogP7.35
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.64
LogP ≤ 57.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[(3E,5E)-hepta-1,3,5-trien-4-yl]benzene
CID 145212494
1-ethyl-4-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]benzene
CID 142394610
1-ethyl-3-prop-1-en-2-ylbenzene
CID 14178225
[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene
CID 12628363
1-ethyl-3-[3-[3-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]phenyl]phenyl]benzene
CID 142394585
1-[(3Z,5E)-nona-1,3,5-trien-5-yl]-3-pent-1-en-2-ylbenzene
CID 145461755
3-[[[3-[3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-3-methylbut-1-en-2-yl]-prop-1-en-2-ylamino]methyl]-N-methyl-N-pentylaniline
CID 145461780
ethane;3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzoic acid;methoxyethene
CID 143785797
4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]aniline
CID 142183430
3-ethylbenzamide;4-ethyl-3-methoxybenzamide;prop-1-ene
CID 143067890
(E)-3-(3-prop-1-en-2-ylphenyl)prop-1-en-1-amine
CID 134297759
azane;ethylbenzene;(3Z)-7-methyl-5-methylideneocta-1,3,7-triene
CID 162357982

Frequently Asked Questions

What is the IUPAC name of ethenamine;1-ethyl-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene;2-methylprop-1-ene;prop-1-ene?
The IUPAC name of ethenamine;1-ethyl-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene;2-methylprop-1-ene;prop-1-ene (CID 142077312) is ethenamine;1-ethyl-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene;2-methylprop-1-ene;prop-1-ene.
What is the SMILES notation for ethenamine;1-ethyl-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene;2-methylprop-1-ene;prop-1-ene?
The canonical SMILES for ethenamine;1-ethyl-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene;2-methylprop-1-ene;prop-1-ene is C=C(C)C.C=C/C=C\C(=C/C)c1cccc(CC)c1.C=CC.C=CN.C=CN.
What is the InChIKey of ethenamine;1-ethyl-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene;2-methylprop-1-ene;prop-1-ene?
The InChIKey is MIQQRAGVDCHPEP-NOAQWTMXSA-N. The full InChI is InChI=1S/C15H18.C4H8.C3H6.2C2H5N/c1-4-7-10-14(6-3)15-11-8-9-13(5-2)12-15;1-4(2)3;1-3-2;2*1-2-3/h4,6-12H,1,5H2,2-3H3;1H2,2-3H3;3H,1H2,2H3;2*2H,1,3H2/b10-7-,14-6+;;;;.
What are the key properties of ethenamine;1-ethyl-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene;2-methylprop-1-ene;prop-1-ene?
ethenamine;1-ethyl-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene;2-methylprop-1-ene;prop-1-ene has a molecular weight of 382.64 g/mol, XLogP of 7.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenamine;1-ethyl-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene;2-methylprop-1-ene;prop-1-ene is sourced from PubChem (CID 142077312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).