(Z,3Z)-7-fluoro-7-methyl-N-prop-1-en-2-yl-3-prop-2-enylideneoct-4-en-1-amine

C15H24FN — CID 134302585

IUPAC(Z,3Z)-7-fluoro-7-methyl-N-prop-1-en-2-yl-3-prop-2-enylideneoct-4-en-1-amine
SMILESC=C/C=C(\C=C/CC(C)(C)F)CCNC(=C)C
InChIInChI=1S/C15H24FN/c1-6-8-14(10-12-17-13(2)3)9-7-11-15(4,5)16/h6-9,17H,1-2,10-12H2,3-5H3/b9-7-,14-8+
InChIKeyQQSQCDOBCYXOAK-JIAHQVGESA-N
MW237.36 g/mol
LogP4.31
Rot. Bonds8

About (Z,3Z)-7-fluoro-7-methyl-N-prop-1-en-2-yl-3-prop-2-enylideneoct-4-en-1-amine

(Z,3Z)-7-fluoro-7-methyl-N-prop-1-en-2-yl-3-prop-2-enylideneoct-4-en-1-amine (PubChem CID 134302585) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is (Z,3Z)-7-fluoro-7-methyl-N-prop-1-en-2-yl-3-prop-2-enylideneoct-4-en-1-amine.

Molecular Properties

Compound Name(Z,3Z)-7-fluoro-7-methyl-N-prop-1-en-2-yl-3-prop-2-enylideneoct-4-en-1-amine
PubChem CID134302585
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name(Z,3Z)-7-fluoro-7-methyl-N-prop-1-en-2-yl-3-prop-2-enylideneoct-4-en-1-amine
SMILESC=C/C=C(\C=C/CC(C)(C)F)CCNC(=C)C
InChIInChI=1S/C15H24FN/c1-6-8-14(10-12-17-13(2)3)9-7-11-15(4,5)16/h6-9,17H,1-2,10-12H2,3-5H3/b9-7-,14-8+
InChIKeyQQSQCDOBCYXOAK-JIAHQVGESA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,3Z)-7-fluoro-7-methyl-N-prop-1-en-2-yl-3-prop-2-enylideneoct-4-en-1-amine?
The IUPAC name of (Z,3Z)-7-fluoro-7-methyl-N-prop-1-en-2-yl-3-prop-2-enylideneoct-4-en-1-amine (CID 134302585) is (Z,3Z)-7-fluoro-7-methyl-N-prop-1-en-2-yl-3-prop-2-enylideneoct-4-en-1-amine.
What is the SMILES notation for (Z,3Z)-7-fluoro-7-methyl-N-prop-1-en-2-yl-3-prop-2-enylideneoct-4-en-1-amine?
The canonical SMILES for (Z,3Z)-7-fluoro-7-methyl-N-prop-1-en-2-yl-3-prop-2-enylideneoct-4-en-1-amine is C=C/C=C(\C=C/CC(C)(C)F)CCNC(=C)C.
What is the InChIKey of (Z,3Z)-7-fluoro-7-methyl-N-prop-1-en-2-yl-3-prop-2-enylideneoct-4-en-1-amine?
The InChIKey is QQSQCDOBCYXOAK-JIAHQVGESA-N. The full InChI is InChI=1S/C15H24FN/c1-6-8-14(10-12-17-13(2)3)9-7-11-15(4,5)16/h6-9,17H,1-2,10-12H2,3-5H3/b9-7-,14-8+.
What are the key properties of (Z,3Z)-7-fluoro-7-methyl-N-prop-1-en-2-yl-3-prop-2-enylideneoct-4-en-1-amine?
(Z,3Z)-7-fluoro-7-methyl-N-prop-1-en-2-yl-3-prop-2-enylideneoct-4-en-1-amine has a molecular weight of 237.36 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3Z)-7-fluoro-7-methyl-N-prop-1-en-2-yl-3-prop-2-enylideneoct-4-en-1-amine is sourced from PubChem (CID 134302585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).