(6E,8Z)-8-chloro-9-fluoro-2-methyl-6-(3-methylbut-2-enyl)-5-propyldeca-6,8-dien-1-amine

C19H33ClFN — CID 134389947

IUPAC(6E,8Z)-8-chloro-9-fluoro-2-methyl-6-(3-methylbut-2-enyl)-5-propyldeca-6,8-dien-1-amine
SMILESCCCC(CCC(C)CN)/C(=C/C(Cl)=C(\C)F)CC=C(C)C
InChIInChI=1S/C19H33ClFN/c1-6-7-17(11-9-15(4)13-22)18(10-8-14(2)3)12-19(20)16(5)21/h8,12,15,17H,6-7,9-11,13,22H2,1-5H3/b18-12+,19-16-
InChIKeyBXYOEWKJEGAZOM-UHIRCJBMSA-N
MW329.93 g/mol
LogP6.50
Rot. Bonds10

About (6E,8Z)-8-chloro-9-fluoro-2-methyl-6-(3-methylbut-2-enyl)-5-propyldeca-6,8-dien-1-amine

(6E,8Z)-8-chloro-9-fluoro-2-methyl-6-(3-methylbut-2-enyl)-5-propyldeca-6,8-dien-1-amine (PubChem CID 134389947) has the molecular formula C19H33ClFN and a molecular weight of 329.93 g/mol. Its IUPAC name is (6E,8Z)-8-chloro-9-fluoro-2-methyl-6-(3-methylbut-2-enyl)-5-propyldeca-6,8-dien-1-amine.

Molecular Properties

Compound Name(6E,8Z)-8-chloro-9-fluoro-2-methyl-6-(3-methylbut-2-enyl)-5-propyldeca-6,8-dien-1-amine
PubChem CID134389947
Molecular FormulaC19H33ClFN
Molecular Weight329.93 g/mol
Exact Mass329.23
IUPAC Name(6E,8Z)-8-chloro-9-fluoro-2-methyl-6-(3-methylbut-2-enyl)-5-propyldeca-6,8-dien-1-amine
SMILESCCCC(CCC(C)CN)/C(=C/C(Cl)=C(\C)F)CC=C(C)C
InChIInChI=1S/C19H33ClFN/c1-6-7-17(11-9-15(4)13-22)18(10-8-14(2)3)12-19(20)16(5)21/h8,12,15,17H,6-7,9-11,13,22H2,1-5H3/b18-12+,19-16-
InChIKeyBXYOEWKJEGAZOM-UHIRCJBMSA-N
XLogP6.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.93
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(10Z,13E)-10-[(Z)-1,2-difluoroethenyl]-5,6,9-trimethylpentadeca-10,13-dien-2-amine
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(7E,9E)-10,11-difluoro-2,3,7-trimethyl-5-(5-methylhexan-3-yl)undeca-7,9-dien-1-amine
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5-(6-Ethyl-2-fluorocyclohexa-1,3-dien-1-yl)pentan-1-amine
CID 155135133
(Z)-7-ethyl-9-fluoro-6-methylnon-7-en-1-amine
CID 166823962
(7Z,9Z)-13-fluoro-13-methyl-5-methylidene-8-propan-2-ylpentadeca-7,9-dien-1-amine
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(4E)-6-(cyclopentylmethyl)-3-ethyl-1-fluoro-4-methylhepta-4,6-dien-1-amine
CID 170237796
(2Z,7E,9E)-3-[4-(5-butylcyclohepta-1,6-dien-1-yl)-3-methylbut-1-en-2-yl]-10-fluoro-6,7-dimethylundeca-2,7,9-trien-1-amine
CID 142017509
3-[2-[(1Z)-buta-1,3-dienyl]-6-[(1E)-2-fluorobuta-1,3-dienyl]-3,5-dimethylcyclohepta-2,5-dien-1-yl]propan-1-amine
CID 143335842
(7E,8Z)-4,5-dimethyl-7-(2-methylprop-2-enylidene)-3-propylundeca-8,10-dien-1-amine
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(6S,7E,9E)-10-chloro-7-ethenyl-6-ethylundeca-7,9-dien-1-amine
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Frequently Asked Questions

What is the IUPAC name of (6E,8Z)-8-chloro-9-fluoro-2-methyl-6-(3-methylbut-2-enyl)-5-propyldeca-6,8-dien-1-amine?
The IUPAC name of (6E,8Z)-8-chloro-9-fluoro-2-methyl-6-(3-methylbut-2-enyl)-5-propyldeca-6,8-dien-1-amine (CID 134389947) is (6E,8Z)-8-chloro-9-fluoro-2-methyl-6-(3-methylbut-2-enyl)-5-propyldeca-6,8-dien-1-amine.
What is the SMILES notation for (6E,8Z)-8-chloro-9-fluoro-2-methyl-6-(3-methylbut-2-enyl)-5-propyldeca-6,8-dien-1-amine?
The canonical SMILES for (6E,8Z)-8-chloro-9-fluoro-2-methyl-6-(3-methylbut-2-enyl)-5-propyldeca-6,8-dien-1-amine is CCCC(CCC(C)CN)/C(=C/C(Cl)=C(\C)F)CC=C(C)C.
What is the InChIKey of (6E,8Z)-8-chloro-9-fluoro-2-methyl-6-(3-methylbut-2-enyl)-5-propyldeca-6,8-dien-1-amine?
The InChIKey is BXYOEWKJEGAZOM-UHIRCJBMSA-N. The full InChI is InChI=1S/C19H33ClFN/c1-6-7-17(11-9-15(4)13-22)18(10-8-14(2)3)12-19(20)16(5)21/h8,12,15,17H,6-7,9-11,13,22H2,1-5H3/b18-12+,19-16-.
What are the key properties of (6E,8Z)-8-chloro-9-fluoro-2-methyl-6-(3-methylbut-2-enyl)-5-propyldeca-6,8-dien-1-amine?
(6E,8Z)-8-chloro-9-fluoro-2-methyl-6-(3-methylbut-2-enyl)-5-propyldeca-6,8-dien-1-amine has a molecular weight of 329.93 g/mol, XLogP of 6.50, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8Z)-8-chloro-9-fluoro-2-methyl-6-(3-methylbut-2-enyl)-5-propyldeca-6,8-dien-1-amine is sourced from PubChem (CID 134389947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).