6-[2-(2-ethyl-2-fluoro-3-methylbutyl)cyclopropyl]-3-ethylideneocta-4,6-dien-2-amine

C20H34FN — CID 90898692

IUPAC6-[2-(2-ethyl-2-fluoro-3-methylbutyl)cyclopropyl]-3-ethylideneocta-4,6-dien-2-amine
SMILESCC=C(C=CC(=CC)C1CC1CC(F)(CC)C(C)C)C(C)N
InChIInChI=1S/C20H34FN/c1-7-16(15(6)22)10-11-17(8-2)19-12-18(19)13-20(21,9-3)14(4)5/h7-8,10-11,14-15,18-19H,9,12-13,22H2,1-6H3
InChIKeyUCDQBOVNAIUXLA-UHFFFAOYSA-N
MW307.50 g/mol
LogP5.58
Rot. Bonds8

About 6-[2-(2-ethyl-2-fluoro-3-methylbutyl)cyclopropyl]-3-ethylideneocta-4,6-dien-2-amine

6-[2-(2-ethyl-2-fluoro-3-methylbutyl)cyclopropyl]-3-ethylideneocta-4,6-dien-2-amine (PubChem CID 90898692) has the molecular formula C20H34FN and a molecular weight of 307.50 g/mol. Its IUPAC name is 6-[2-(2-ethyl-2-fluoro-3-methylbutyl)cyclopropyl]-3-ethylideneocta-4,6-dien-2-amine.

Molecular Properties

Compound Name6-[2-(2-ethyl-2-fluoro-3-methylbutyl)cyclopropyl]-3-ethylideneocta-4,6-dien-2-amine
PubChem CID90898692
Molecular FormulaC20H34FN
Molecular Weight307.50 g/mol
Exact Mass307.27
IUPAC Name6-[2-(2-ethyl-2-fluoro-3-methylbutyl)cyclopropyl]-3-ethylideneocta-4,6-dien-2-amine
SMILESCC=C(C=CC(=CC)C1CC1CC(F)(CC)C(C)C)C(C)N
InChIInChI=1S/C20H34FN/c1-7-16(15(6)22)10-11-17(8-2)19-12-18(19)13-20(21,9-3)14(4)5/h7-8,10-11,14-15,18-19H,9,12-13,22H2,1-6H3
InChIKeyUCDQBOVNAIUXLA-UHFFFAOYSA-N
XLogP5.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.50
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4E,10E,12E)-15-fluoro-2,4,6,8,10,16-hexamethylheptadeca-2,4,10,12-tetraen-7-amine
CID 89090365
1-Fluoro-3-[4-[2-(4-methylcycloheptyl)ethyl]cyclohexa-1,5-dien-1-yl]butan-2-amine
CID 134316538
3-(4-Cyclopropylcyclohexa-1,5-dien-1-yl)-1-fluoropentan-2-amine
CID 134316560
6-[4-(7-fluorononyl)-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]hexan-1-amine
CID 135225512
1-(2-Fluoro-5,6-dimethylcyclohexa-1,3-dien-1-yl)butan-1-amine
CID 142905008
(10Z,13E)-10-[(Z)-1,2-difluoroethenyl]-5,6,9-trimethylpentadeca-10,13-dien-2-amine
CID 144405281
4-[[(4S)-5-fluoro-4-[(E)-1-fluorobut-2-enyl]-2-methylcyclohexyl]methylidene]hex-5-en-3-amine
CID 173983833
(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
4-[(6R)-6-methyloct-1-en-3-yl]cyclohexa-2,4-dien-1-amine
CID 89074015
2,6-Di(heptan-4-yl)cyclohexa-2,4-dien-1-amine
CID 118583246
(Z)-4-ethenyl-7-methylundec-3-en-2-amine
CID 121420088
(12Z)-7,8,13-triethylpentadeca-12,14-diene-4,6,11-triamine
CID 122692131

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-ethyl-2-fluoro-3-methylbutyl)cyclopropyl]-3-ethylideneocta-4,6-dien-2-amine?
The IUPAC name of 6-[2-(2-ethyl-2-fluoro-3-methylbutyl)cyclopropyl]-3-ethylideneocta-4,6-dien-2-amine (CID 90898692) is 6-[2-(2-ethyl-2-fluoro-3-methylbutyl)cyclopropyl]-3-ethylideneocta-4,6-dien-2-amine.
What is the SMILES notation for 6-[2-(2-ethyl-2-fluoro-3-methylbutyl)cyclopropyl]-3-ethylideneocta-4,6-dien-2-amine?
The canonical SMILES for 6-[2-(2-ethyl-2-fluoro-3-methylbutyl)cyclopropyl]-3-ethylideneocta-4,6-dien-2-amine is CC=C(C=CC(=CC)C1CC1CC(F)(CC)C(C)C)C(C)N.
What is the InChIKey of 6-[2-(2-ethyl-2-fluoro-3-methylbutyl)cyclopropyl]-3-ethylideneocta-4,6-dien-2-amine?
The InChIKey is UCDQBOVNAIUXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34FN/c1-7-16(15(6)22)10-11-17(8-2)19-12-18(19)13-20(21,9-3)14(4)5/h7-8,10-11,14-15,18-19H,9,12-13,22H2,1-6H3.
What are the key properties of 6-[2-(2-ethyl-2-fluoro-3-methylbutyl)cyclopropyl]-3-ethylideneocta-4,6-dien-2-amine?
6-[2-(2-ethyl-2-fluoro-3-methylbutyl)cyclopropyl]-3-ethylideneocta-4,6-dien-2-amine has a molecular weight of 307.50 g/mol, XLogP of 5.58, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-ethyl-2-fluoro-3-methylbutyl)cyclopropyl]-3-ethylideneocta-4,6-dien-2-amine is sourced from PubChem (CID 90898692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).