(2E)-N-[(2Z)-3-ethyl-5-methylhexa-2,5-dien-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine

C17H25N — CID 177318702

IUPAC(2E)-N-[(2Z)-3-ethyl-5-methylhexa-2,5-dien-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine
SMILESC=C/C=C(\C=C/C)/C=N/C(C)=C(/CC)CC(=C)C
InChIInChI=1S/C17H25N/c1-7-10-16(11-8-2)13-18-15(6)17(9-3)12-14(4)5/h7-8,10-11,13H,1,4,9,12H2,2-3,5-6H3/b11-8-,16-10+,17-15-,18-13+
InChIKeyXTFQEVDYSHWBDC-ONHWMZGXSA-N
MW243.39 g/mol
LogP5.40
Rot. Bonds7

About (2E)-N-[(2Z)-3-ethyl-5-methylhexa-2,5-dien-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine

(2E)-N-[(2Z)-3-ethyl-5-methylhexa-2,5-dien-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine (PubChem CID 177318702) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is (2E)-N-[(2Z)-3-ethyl-5-methylhexa-2,5-dien-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E)-N-[(2Z)-3-ethyl-5-methylhexa-2,5-dien-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine
PubChem CID177318702
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name(2E)-N-[(2Z)-3-ethyl-5-methylhexa-2,5-dien-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine
SMILESC=C/C=C(\C=C/C)/C=N/C(C)=C(/CC)CC(=C)C
InChIInChI=1S/C17H25N/c1-7-10-16(11-8-2)13-18-15(6)17(9-3)12-14(4)5/h7-8,10-11,13H,1,4,9,12H2,2-3,5-6H3/b11-8-,16-10+,17-15-,18-13+
InChIKeyXTFQEVDYSHWBDC-ONHWMZGXSA-N
XLogP5.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500243.39
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

propane;(5Z)-4-[(E)-prop-1-enyl]hepta-1,3,5-triene
CID 143651334
ethane;(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5-triene
CID 143078245
(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 143274377
(3Z,5E)-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 142147647
(5E)-4-methylimino-5-[(Z)-prop-1-enyl]octa-5,7-dien-2-one
CID 143449750
6-ethyl-2-methyl-4-methylidenenona-1,5,7-triene
CID 123708216
butan-2-one;ethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]formamide
CID 142225178
(E)-but-2-ene;2-methylbut-1-ene
CID 160732245
but-2-ene;2-methylbut-1-ene
CID 160732246
(2Z,4Z)-3,4-dimethylhexa-2,4-diene;N,2-dimethylprop-2-en-1-amine;(3Z,5Z)-4-methylhepta-1,3,5-triene;propane
CID 156721035
6-N-[(E)-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienylidene]amino]-4-N-[(E)-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienylidene]amino]pyrimidine-2,4,6-triamine
CID 146233673
1-hydroxy-3-[(1E,3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trienyl]urea
CID 130471238

Frequently Asked Questions

What is the IUPAC name of (2E)-N-[(2Z)-3-ethyl-5-methylhexa-2,5-dien-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine?
The IUPAC name of (2E)-N-[(2Z)-3-ethyl-5-methylhexa-2,5-dien-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine (CID 177318702) is (2E)-N-[(2Z)-3-ethyl-5-methylhexa-2,5-dien-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine.
What is the SMILES notation for (2E)-N-[(2Z)-3-ethyl-5-methylhexa-2,5-dien-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine?
The canonical SMILES for (2E)-N-[(2Z)-3-ethyl-5-methylhexa-2,5-dien-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine is C=C/C=C(\C=C/C)/C=N/C(C)=C(/CC)CC(=C)C.
What is the InChIKey of (2E)-N-[(2Z)-3-ethyl-5-methylhexa-2,5-dien-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine?
The InChIKey is XTFQEVDYSHWBDC-ONHWMZGXSA-N. The full InChI is InChI=1S/C17H25N/c1-7-10-16(11-8-2)13-18-15(6)17(9-3)12-14(4)5/h7-8,10-11,13H,1,4,9,12H2,2-3,5-6H3/b11-8-,16-10+,17-15-,18-13+.
What are the key properties of (2E)-N-[(2Z)-3-ethyl-5-methylhexa-2,5-dien-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine?
(2E)-N-[(2Z)-3-ethyl-5-methylhexa-2,5-dien-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine has a molecular weight of 243.39 g/mol, XLogP of 5.40, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[(2Z)-3-ethyl-5-methylhexa-2,5-dien-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine is sourced from PubChem (CID 177318702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).