(2Z,4E)-5-[1-(cyclopropylmethyl)-3-prop-1-en-2-yl-2H-pyridin-6-yl]-N-methylhexa-2,4-dien-1-imine;ethane

C23H38N2 — CID 145358442

IUPAC(2Z,4E)-5-[1-(cyclopropylmethyl)-3-prop-1-en-2-yl-2H-pyridin-6-yl]-N-methylhexa-2,4-dien-1-imine;ethane
SMILESC=C(C)C1=CC=C(/C(C)=C/C=C\C=N\C)N(CC2CC2)C1.CC.CC
InChIInChI=1S/C19H26N2.2C2H6/c1-15(2)18-10-11-19(16(3)7-5-6-12-20-4)21(14-18)13-17-8-9-17;2*1-2/h5-7,10-12,17H,1,8-9,13-14H2,2-4H3;2*1-2H3/b6-5-,16-7+,20-12+;;
InChIKeySEIDTDNQKVYUOE-NXFANENJSA-N
MW342.57 g/mol
LogP6.35
Rot. Bonds6

About (2Z,4E)-5-[1-(cyclopropylmethyl)-3-prop-1-en-2-yl-2H-pyridin-6-yl]-N-methylhexa-2,4-dien-1-imine;ethane

(2Z,4E)-5-[1-(cyclopropylmethyl)-3-prop-1-en-2-yl-2H-pyridin-6-yl]-N-methylhexa-2,4-dien-1-imine;ethane (PubChem CID 145358442) has the molecular formula C23H38N2 and a molecular weight of 342.57 g/mol. Its IUPAC name is (2Z,4E)-5-[1-(cyclopropylmethyl)-3-prop-1-en-2-yl-2H-pyridin-6-yl]-N-methylhexa-2,4-dien-1-imine;ethane.

Molecular Properties

Compound Name(2Z,4E)-5-[1-(cyclopropylmethyl)-3-prop-1-en-2-yl-2H-pyridin-6-yl]-N-methylhexa-2,4-dien-1-imine;ethane
PubChem CID145358442
Molecular FormulaC23H38N2
Molecular Weight342.57 g/mol
Exact Mass342.30
IUPAC Name(2Z,4E)-5-[1-(cyclopropylmethyl)-3-prop-1-en-2-yl-2H-pyridin-6-yl]-N-methylhexa-2,4-dien-1-imine;ethane
SMILESC=C(C)C1=CC=C(/C(C)=C/C=C\C=N\C)N(CC2CC2)C1.CC.CC
InChIInChI=1S/C19H26N2.2C2H6/c1-15(2)18-10-11-19(16(3)7-5-6-12-20-4)21(14-18)13-17-8-9-17;2*1-2/h5-7,10-12,17H,1,8-9,13-14H2,2-4H3;2*1-2H3/b6-5-,16-7+,20-12+;;
InChIKeySEIDTDNQKVYUOE-NXFANENJSA-N
XLogP6.35
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.57
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z,4E)-5-[1-(cyclopropylmethyl)-3-prop-1-en-2-yl-2H-pyridin-6-yl]-N-methylhexa-2,4-dien-1-imine;ethane with MolForge

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Related Compounds

1-[(1-but-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4H-pyridin-1-ium-4-ide;yttrium
CID 59188823
4-[(1Z,3Z)-1-[[(Z)-but-2-enylidene]amino]penta-1,3-dien-2-yl]-N-[(E)-hex-3-en-3-yl]-N-[(E)-pent-1-enyl]cyclohexa-1,5-dien-1-amine
CID 124112768
(3E,6Z,9E)-10-(4H-azepin-2-yl)-N,N,8-trimethyldeca-1,3,6,9-tetraen-4-amine
CID 134287949
(1E,3E)-8-[(2E)-1-ethyl-3-methylidene-2-prop-2-enylidenepyridin-1-ium-4-yl]-N,N-dimethylocta-1,3,5,7-tetraen-1-amine
CID 136621642
ethane;1-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]-3-methyl-2-methylidenepyrazine;methylcyclopropane
CID 143756625
ethane;(2E,3Z)-3-ethylidene-1,4-dimethyl-2-propylidenepyridin-1-ium
CID 144465361
1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-2,3-dihydropyridin-1-ium
CID 144727159
ethane;3-methyl-6,7-dihydroquinoline;N-methyl-N-[(3Z)-3-methyl-4-(propan-2-ylideneamino)penta-1,3-dien-2-yl]cyclopropanamine;prop-1-ene
CID 157040465
ethane;(2E)-5-ethenyl-1-[(2Z,4Z)-hexa-2,4-dienylidene]-3-methyl-4-[(Z)-prop-1-enyl]-2-propylidene-3H-pyrrol-1-ium
CID 162362884
(2Z,4E)-4-ethyl-N-[(3Z,5Z)-5-ethyl-2-ethylidenehepta-3,5-dienyl]-2-[[3-methyl-2-[(E)-1-methyliminobut-2-en-2-yl]-2H-pyrimidin-4-yl]methyl]hexa-2,4-dien-1-imine
CID 166834005
(3E)-N-methyl-5-(methylideneamino)-N-(2-methylpropyl)-3-[(Z)-pent-2-enylidene]-2H-pyridin-4-amine
CID 166969739
N-[(E)-4-[(2E)-4-methylpenta-2,4-dien-2-yl]iminobut-2-en-2-yl]-N-propylpentan-1-amine
CID 169893859

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-[1-(cyclopropylmethyl)-3-prop-1-en-2-yl-2H-pyridin-6-yl]-N-methylhexa-2,4-dien-1-imine;ethane?
The IUPAC name of (2Z,4E)-5-[1-(cyclopropylmethyl)-3-prop-1-en-2-yl-2H-pyridin-6-yl]-N-methylhexa-2,4-dien-1-imine;ethane (CID 145358442) is (2Z,4E)-5-[1-(cyclopropylmethyl)-3-prop-1-en-2-yl-2H-pyridin-6-yl]-N-methylhexa-2,4-dien-1-imine;ethane.
What is the SMILES notation for (2Z,4E)-5-[1-(cyclopropylmethyl)-3-prop-1-en-2-yl-2H-pyridin-6-yl]-N-methylhexa-2,4-dien-1-imine;ethane?
The canonical SMILES for (2Z,4E)-5-[1-(cyclopropylmethyl)-3-prop-1-en-2-yl-2H-pyridin-6-yl]-N-methylhexa-2,4-dien-1-imine;ethane is C=C(C)C1=CC=C(/C(C)=C/C=C\C=N\C)N(CC2CC2)C1.CC.CC.
What is the InChIKey of (2Z,4E)-5-[1-(cyclopropylmethyl)-3-prop-1-en-2-yl-2H-pyridin-6-yl]-N-methylhexa-2,4-dien-1-imine;ethane?
The InChIKey is SEIDTDNQKVYUOE-NXFANENJSA-N. The full InChI is InChI=1S/C19H26N2.2C2H6/c1-15(2)18-10-11-19(16(3)7-5-6-12-20-4)21(14-18)13-17-8-9-17;2*1-2/h5-7,10-12,17H,1,8-9,13-14H2,2-4H3;2*1-2H3/b6-5-,16-7+,20-12+;;.
What are the key properties of (2Z,4E)-5-[1-(cyclopropylmethyl)-3-prop-1-en-2-yl-2H-pyridin-6-yl]-N-methylhexa-2,4-dien-1-imine;ethane?
(2Z,4E)-5-[1-(cyclopropylmethyl)-3-prop-1-en-2-yl-2H-pyridin-6-yl]-N-methylhexa-2,4-dien-1-imine;ethane has a molecular weight of 342.57 g/mol, XLogP of 6.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-[1-(cyclopropylmethyl)-3-prop-1-en-2-yl-2H-pyridin-6-yl]-N-methylhexa-2,4-dien-1-imine;ethane is sourced from PubChem (CID 145358442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).