3-(dimethylamino)-5-fluoro-4-methylidene-1-(4-methylidenecyclohexyl)hept-5-en-1-ol

C17H28FNO — CID 123192890

IUPAC3-(dimethylamino)-5-fluoro-4-methylidene-1-(4-methylidenecyclohexyl)hept-5-en-1-ol
SMILESC=C1CCC(C(O)CC(C(=C)C(F)=CC)N(C)C)CC1
InChIInChI=1S/C17H28FNO/c1-6-15(18)13(3)16(19(4)5)11-17(20)14-9-7-12(2)8-10-14/h6,14,16-17,20H,2-3,7-11H2,1,4-5H3
InChIKeyLXQVKNUGINUCMD-UHFFFAOYSA-N
MW281.41 g/mol
LogP3.84
Rot. Bonds6

About 3-(dimethylamino)-5-fluoro-4-methylidene-1-(4-methylidenecyclohexyl)hept-5-en-1-ol

3-(dimethylamino)-5-fluoro-4-methylidene-1-(4-methylidenecyclohexyl)hept-5-en-1-ol (PubChem CID 123192890) has the molecular formula C17H28FNO and a molecular weight of 281.41 g/mol. Its IUPAC name is 3-(dimethylamino)-5-fluoro-4-methylidene-1-(4-methylidenecyclohexyl)hept-5-en-1-ol.

Molecular Properties

Compound Name3-(dimethylamino)-5-fluoro-4-methylidene-1-(4-methylidenecyclohexyl)hept-5-en-1-ol
PubChem CID123192890
Molecular FormulaC17H28FNO
Molecular Weight281.41 g/mol
Exact Mass281.22
IUPAC Name3-(dimethylamino)-5-fluoro-4-methylidene-1-(4-methylidenecyclohexyl)hept-5-en-1-ol
SMILESC=C1CCC(C(O)CC(C(=C)C(F)=CC)N(C)C)CC1
InChIInChI=1S/C17H28FNO/c1-6-15(18)13(3)16(19(4)5)11-17(20)14-9-7-12(2)8-10-14/h6,14,16-17,20H,2-3,7-11H2,1,4-5H3
InChIKeyLXQVKNUGINUCMD-UHFFFAOYSA-N
XLogP3.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(R)-cyclohexyl-[(1S,2R)-2-(dimethylamino)-1-methylcyclohex-3-en-1-yl]methanol
CID 11831888

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-5-fluoro-4-methylidene-1-(4-methylidenecyclohexyl)hept-5-en-1-ol?
The IUPAC name of 3-(dimethylamino)-5-fluoro-4-methylidene-1-(4-methylidenecyclohexyl)hept-5-en-1-ol (CID 123192890) is 3-(dimethylamino)-5-fluoro-4-methylidene-1-(4-methylidenecyclohexyl)hept-5-en-1-ol.
What is the SMILES notation for 3-(dimethylamino)-5-fluoro-4-methylidene-1-(4-methylidenecyclohexyl)hept-5-en-1-ol?
The canonical SMILES for 3-(dimethylamino)-5-fluoro-4-methylidene-1-(4-methylidenecyclohexyl)hept-5-en-1-ol is C=C1CCC(C(O)CC(C(=C)C(F)=CC)N(C)C)CC1.
What is the InChIKey of 3-(dimethylamino)-5-fluoro-4-methylidene-1-(4-methylidenecyclohexyl)hept-5-en-1-ol?
The InChIKey is LXQVKNUGINUCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO/c1-6-15(18)13(3)16(19(4)5)11-17(20)14-9-7-12(2)8-10-14/h6,14,16-17,20H,2-3,7-11H2,1,4-5H3.
What are the key properties of 3-(dimethylamino)-5-fluoro-4-methylidene-1-(4-methylidenecyclohexyl)hept-5-en-1-ol?
3-(dimethylamino)-5-fluoro-4-methylidene-1-(4-methylidenecyclohexyl)hept-5-en-1-ol has a molecular weight of 281.41 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-5-fluoro-4-methylidene-1-(4-methylidenecyclohexyl)hept-5-en-1-ol is sourced from PubChem (CID 123192890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).