(Z)-N-[(E)-but-1-enyl]-3-[(E)-1-fluoroprop-1-enyl]-4-methylhept-3-en-2-imine

C15H24FN — CID 145143636

IUPAC(Z)-N-[(E)-but-1-enyl]-3-[(E)-1-fluoroprop-1-enyl]-4-methylhept-3-en-2-imine
SMILESC/C=C(F)\C(=C(\C)CCC)C(\C)=N\C=C\CC
InChIInChI=1S/C15H24FN/c1-6-9-11-17-13(5)15(14(16)8-3)12(4)10-7-2/h8-9,11H,6-7,10H2,1-5H3/b11-9+,14-8+,15-12-,17-13+
InChIKeyBDXRHSTVASFVCC-QKJLPTBMSA-N
MW237.36 g/mol
LogP5.36
Rot. Bonds6

About (Z)-N-[(E)-but-1-enyl]-3-[(E)-1-fluoroprop-1-enyl]-4-methylhept-3-en-2-imine

(Z)-N-[(E)-but-1-enyl]-3-[(E)-1-fluoroprop-1-enyl]-4-methylhept-3-en-2-imine (PubChem CID 145143636) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is (Z)-N-[(E)-but-1-enyl]-3-[(E)-1-fluoroprop-1-enyl]-4-methylhept-3-en-2-imine.

Molecular Properties

Compound Name(Z)-N-[(E)-but-1-enyl]-3-[(E)-1-fluoroprop-1-enyl]-4-methylhept-3-en-2-imine
PubChem CID145143636
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name(Z)-N-[(E)-but-1-enyl]-3-[(E)-1-fluoroprop-1-enyl]-4-methylhept-3-en-2-imine
SMILESC/C=C(F)\C(=C(\C)CCC)C(\C)=N\C=C\CC
InChIInChI=1S/C15H24FN/c1-6-9-11-17-13(5)15(14(16)8-3)12(4)10-7-2/h8-9,11H,6-7,10H2,1-5H3/b11-9+,14-8+,15-12-,17-13+
InChIKeyBDXRHSTVASFVCC-QKJLPTBMSA-N
XLogP5.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.36
LogP ≤ 55.36
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'}

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Related Compounds

(1Z)-1-Benzazocine
CID 17846319
2-Pentylazocine
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5-fluoro-7H-indole
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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
(Z)-N-[(1E)-3-chloro-4-fluoro-5-methylhexa-1,3-dienyl]hept-4-en-3-imine
CID 123885784
(2E,4E,6E)-N-ethenyl-8-fluoro-5-methyl-6-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylnona-2,4,6,8-tetraen-1-imine
CID 126516076
1-[(4E,6Z)-5-fluorocycloocta-1,4,6-trien-1-yl]-N-methylethanimine
CID 129215964
(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
(Z)-N-[(1Z)-buta-1,3-dienyl]-3,6,7-trimethylidene-9-(4,4,5,5-tetrafluoro-2-methylcyclohexen-1-yl)non-8-en-2-imine
CID 139563424
(3E)-N-ethenyl-4-fluoro-5-methyl-2-propan-2-ylidenehexa-3,5-dien-1-imine
CID 142433312
5-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-3-methyl-2H-pyrrole
CID 143331085

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(E)-but-1-enyl]-3-[(E)-1-fluoroprop-1-enyl]-4-methylhept-3-en-2-imine?
The IUPAC name of (Z)-N-[(E)-but-1-enyl]-3-[(E)-1-fluoroprop-1-enyl]-4-methylhept-3-en-2-imine (CID 145143636) is (Z)-N-[(E)-but-1-enyl]-3-[(E)-1-fluoroprop-1-enyl]-4-methylhept-3-en-2-imine.
What is the SMILES notation for (Z)-N-[(E)-but-1-enyl]-3-[(E)-1-fluoroprop-1-enyl]-4-methylhept-3-en-2-imine?
The canonical SMILES for (Z)-N-[(E)-but-1-enyl]-3-[(E)-1-fluoroprop-1-enyl]-4-methylhept-3-en-2-imine is C/C=C(F)\C(=C(\C)CCC)C(\C)=N\C=C\CC.
What is the InChIKey of (Z)-N-[(E)-but-1-enyl]-3-[(E)-1-fluoroprop-1-enyl]-4-methylhept-3-en-2-imine?
The InChIKey is BDXRHSTVASFVCC-QKJLPTBMSA-N. The full InChI is InChI=1S/C15H24FN/c1-6-9-11-17-13(5)15(14(16)8-3)12(4)10-7-2/h8-9,11H,6-7,10H2,1-5H3/b11-9+,14-8+,15-12-,17-13+.
What are the key properties of (Z)-N-[(E)-but-1-enyl]-3-[(E)-1-fluoroprop-1-enyl]-4-methylhept-3-en-2-imine?
(Z)-N-[(E)-but-1-enyl]-3-[(E)-1-fluoroprop-1-enyl]-4-methylhept-3-en-2-imine has a molecular weight of 237.36 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(E)-but-1-enyl]-3-[(E)-1-fluoroprop-1-enyl]-4-methylhept-3-en-2-imine is sourced from PubChem (CID 145143636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).