(Z)-N-[(1E,3Z)-4-methylhepta-1,3,5-trienyl]oct-5-en-4-imine

C16H25N — CID 91300094

IUPAC(Z)-N-[(1E,3Z)-4-methylhepta-1,3,5-trienyl]oct-5-en-4-imine
SMILESCC=C/C(C)=C\C=C\N=C(\C=C/CC)CCC
InChIInChI=1S/C16H25N/c1-5-8-13-16(11-7-3)17-14-9-12-15(4)10-6-2/h6,8-10,12-14H,5,7,11H2,1-4H3/b10-6?,13-8-,14-9+,15-12-,17-16+
InChIKeySDGLTEINSZGWHZ-ARUMNPQASA-N
MW231.38 g/mol
LogP5.23
Rot. Bonds7

About (Z)-N-[(1E,3Z)-4-methylhepta-1,3,5-trienyl]oct-5-en-4-imine

(Z)-N-[(1E,3Z)-4-methylhepta-1,3,5-trienyl]oct-5-en-4-imine (PubChem CID 91300094) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is (Z)-N-[(1E,3Z)-4-methylhepta-1,3,5-trienyl]oct-5-en-4-imine.

Molecular Properties

Compound Name(Z)-N-[(1E,3Z)-4-methylhepta-1,3,5-trienyl]oct-5-en-4-imine
PubChem CID91300094
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name(Z)-N-[(1E,3Z)-4-methylhepta-1,3,5-trienyl]oct-5-en-4-imine
SMILESCC=C/C(C)=C\C=C\N=C(\C=C/CC)CCC
InChIInChI=1S/C16H25N/c1-5-8-13-16(11-7-3)17-14-9-12-15(4)10-6-2/h6,8-10,12-14H,5,7,11H2,1-4H3/b10-6?,13-8-,14-9+,15-12-,17-16+
InChIKeySDGLTEINSZGWHZ-ARUMNPQASA-N
XLogP5.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500231.38
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-N-[(1E,3Z)-4-methylhepta-1,3,5-trienyl]oct-5-en-4-imine with MolForge

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Related Compounds

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2-Pentylazocine
CID 57095178
(3Z,5Z,7Z)-2,3-bis[(3Z,5Z,7Z)-azocin-2-yl]azocine
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N-[(1Z,3E,5E)-7-fluoro-4,5-dimethyl-2-prop-1-en-2-ylnona-1,3,5,7-tetraenyl]propan-2-imine
CID 123854580
(3E)-3-fluoro-4-[[(5Z)-6-methyl-3-methylidene-4-propan-2-ylideneocta-5,7-dien-2-ylidene]amino]buta-1,3-dien-2-amine
CID 130336733
2-[(2Z,4Z)-3-fluorohexa-2,4-dien-2-yl]-3,8-dimethylideneazecine
CID 130341015
6-[(E)-1-fluoroprop-1-enyl]-5,7-dimethyl-4H-azepine
CID 144030424
2-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3,4-dihydropyridine
CID 144248551
(1E)-N-ethenyl-1-(4-fluorocyclohexa-2,4-dien-1-ylidene)propan-2-imine
CID 155181207
(3E,5E)-3-ethenyl-N-(2-methylprop-1-enyl)-6-(trifluoromethyl)nona-3,5-dien-2-imine
CID 156184674
(2Z,7E)-9-methyl-8-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-5,6-dihydro-4H-azonine
CID 163862604

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(1E,3Z)-4-methylhepta-1,3,5-trienyl]oct-5-en-4-imine?
The IUPAC name of (Z)-N-[(1E,3Z)-4-methylhepta-1,3,5-trienyl]oct-5-en-4-imine (CID 91300094) is (Z)-N-[(1E,3Z)-4-methylhepta-1,3,5-trienyl]oct-5-en-4-imine.
What is the SMILES notation for (Z)-N-[(1E,3Z)-4-methylhepta-1,3,5-trienyl]oct-5-en-4-imine?
The canonical SMILES for (Z)-N-[(1E,3Z)-4-methylhepta-1,3,5-trienyl]oct-5-en-4-imine is CC=C/C(C)=C\C=C\N=C(\C=C/CC)CCC.
What is the InChIKey of (Z)-N-[(1E,3Z)-4-methylhepta-1,3,5-trienyl]oct-5-en-4-imine?
The InChIKey is SDGLTEINSZGWHZ-ARUMNPQASA-N. The full InChI is InChI=1S/C16H25N/c1-5-8-13-16(11-7-3)17-14-9-12-15(4)10-6-2/h6,8-10,12-14H,5,7,11H2,1-4H3/b10-6?,13-8-,14-9+,15-12-,17-16+.
What are the key properties of (Z)-N-[(1E,3Z)-4-methylhepta-1,3,5-trienyl]oct-5-en-4-imine?
(Z)-N-[(1E,3Z)-4-methylhepta-1,3,5-trienyl]oct-5-en-4-imine has a molecular weight of 231.38 g/mol, XLogP of 5.23, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(1E,3Z)-4-methylhepta-1,3,5-trienyl]oct-5-en-4-imine is sourced from PubChem (CID 91300094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).