1-(2,3-dihydropyridin-5-yl)-4-N-ethenyl-1-N,3-dimethylhex-5-ene-1,4-diimine;ethane

C19H33N3 — CID 143032041

IUPAC1-(2,3-dihydropyridin-5-yl)-4-N-ethenyl-1-N,3-dimethylhex-5-ene-1,4-diimine;ethane
SMILESC=C/N=C(\C=C)C(C)C/C(=N\C)C1=CCCN=C1.CC.CC
InChIInChI=1S/C15H21N3.2C2H6/c1-5-14(18-6-2)12(3)10-15(16-4)13-8-7-9-17-11-13;2*1-2/h5-6,8,11-12H,1-2,7,9-10H2,3-4H3;2*1-2H3/b16-15+,18-14+;;
InChIKeyWOCOARWTVDNLSW-ABDBWWMLSA-N
MW303.49 g/mol
LogP5.31
Rot. Bonds6

About 1-(2,3-dihydropyridin-5-yl)-4-N-ethenyl-1-N,3-dimethylhex-5-ene-1,4-diimine;ethane

1-(2,3-dihydropyridin-5-yl)-4-N-ethenyl-1-N,3-dimethylhex-5-ene-1,4-diimine;ethane (PubChem CID 143032041) has the molecular formula C19H33N3 and a molecular weight of 303.49 g/mol. Its IUPAC name is 1-(2,3-dihydropyridin-5-yl)-4-N-ethenyl-1-N,3-dimethylhex-5-ene-1,4-diimine;ethane.

Molecular Properties

Compound Name1-(2,3-dihydropyridin-5-yl)-4-N-ethenyl-1-N,3-dimethylhex-5-ene-1,4-diimine;ethane
PubChem CID143032041
Molecular FormulaC19H33N3
Molecular Weight303.49 g/mol
Exact Mass303.27
IUPAC Name1-(2,3-dihydropyridin-5-yl)-4-N-ethenyl-1-N,3-dimethylhex-5-ene-1,4-diimine;ethane
SMILESC=C/N=C(\C=C)C(C)C/C(=N\C)C1=CCCN=C1.CC.CC
InChIInChI=1S/C15H21N3.2C2H6/c1-5-14(18-6-2)12(3)10-15(16-4)13-8-7-9-17-11-13;2*1-2/h5-6,8,11-12H,1-2,7,9-10H2,3-4H3;2*1-2H3/b16-15+,18-14+;;
InChIKeyWOCOARWTVDNLSW-ABDBWWMLSA-N
XLogP5.31
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.49
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-ethenyl-6-methylcyclohex-2-en-1-imine
CID 68332943
4-ethyl-N-(6-ethyl-4,5-dimethyl-2H-azepin-2-yl)-6-methylcyclohex-2-en-1-imine
CID 91016536
2-propan-2-yl-3-propan-2-ylidene-4H-pyridine
CID 118941642
6-Methyl-4-(3-methylidenepent-4-enyl)-3,4-dihydropyridine
CID 123172598
(Z)-2-N-tert-butyl-7-N-ethylidene-4-N,3-dimethyl-5-methylidenehept-6-ene-2,4,7-triimine
CID 123331297
(Z)-6-N,3,4,9,10-pentamethyl-1-N-(methylideneamino)undec-7-ene-1,6-diimine
CID 123432181
N-methyl-3-[(Z)-2-[[(Z)-3-methylpent-2-enylidene]amino]ethenyl]hexan-2-imine
CID 123508740
N-[(2E)-7-(3,4-dihydropyridin-6-yl)-3,4-dimethyl-6-prop-1-enyldeca-2,6,9-trien-2-yl]ethanimine
CID 123899882
4-methyl-3-N-(2-methylbutylidene)-2-N-[(E)-pent-1-enyl]pent-3-ene-2,3-diimine
CID 126599381
2,4-dimethyl-N-[(2Z,4Z)-3-(prop-1-en-2-yliminomethyl)hepta-2,4-dien-4-yl]dec-1-en-3-imine
CID 126660744
(2E,6Z)-5-methyl-6-propyl-4,5-dihydroazocine
CID 126707041
N-[(2Z,4E)-5-(3-methyl-3,4-dihydropyridin-2-yl)hexa-2,4-dien-2-yl]methanimine
CID 126746594

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydropyridin-5-yl)-4-N-ethenyl-1-N,3-dimethylhex-5-ene-1,4-diimine;ethane?
The IUPAC name of 1-(2,3-dihydropyridin-5-yl)-4-N-ethenyl-1-N,3-dimethylhex-5-ene-1,4-diimine;ethane (CID 143032041) is 1-(2,3-dihydropyridin-5-yl)-4-N-ethenyl-1-N,3-dimethylhex-5-ene-1,4-diimine;ethane.
What is the SMILES notation for 1-(2,3-dihydropyridin-5-yl)-4-N-ethenyl-1-N,3-dimethylhex-5-ene-1,4-diimine;ethane?
The canonical SMILES for 1-(2,3-dihydropyridin-5-yl)-4-N-ethenyl-1-N,3-dimethylhex-5-ene-1,4-diimine;ethane is C=C/N=C(\C=C)C(C)C/C(=N\C)C1=CCCN=C1.CC.CC.
What is the InChIKey of 1-(2,3-dihydropyridin-5-yl)-4-N-ethenyl-1-N,3-dimethylhex-5-ene-1,4-diimine;ethane?
The InChIKey is WOCOARWTVDNLSW-ABDBWWMLSA-N. The full InChI is InChI=1S/C15H21N3.2C2H6/c1-5-14(18-6-2)12(3)10-15(16-4)13-8-7-9-17-11-13;2*1-2/h5-6,8,11-12H,1-2,7,9-10H2,3-4H3;2*1-2H3/b16-15+,18-14+;;.
What are the key properties of 1-(2,3-dihydropyridin-5-yl)-4-N-ethenyl-1-N,3-dimethylhex-5-ene-1,4-diimine;ethane?
1-(2,3-dihydropyridin-5-yl)-4-N-ethenyl-1-N,3-dimethylhex-5-ene-1,4-diimine;ethane has a molecular weight of 303.49 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydropyridin-5-yl)-4-N-ethenyl-1-N,3-dimethylhex-5-ene-1,4-diimine;ethane is sourced from PubChem (CID 143032041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).