(6E)-1-[ethyl(methyl)amino]-6-(1-fluoroethylidene)-3-methylundeca-7,10-dien-3-ol

C17H30FNO — CID 142816444

IUPAC(6E)-1-[ethyl(methyl)amino]-6-(1-fluoroethylidene)-3-methylundeca-7,10-dien-3-ol
SMILESC=CCC=C/C(CCC(C)(O)CCN(C)CC)=C(\C)F
InChIInChI=1S/C17H30FNO/c1-6-8-9-10-16(15(3)18)11-12-17(4,20)13-14-19(5)7-2/h6,9-10,20H,1,7-8,11-14H2,2-5H3/b10-9?,16-15-
InChIKeyJMUPFWVQCMYXBB-JTZQVXJSSA-N
MW283.43 g/mol
LogP4.24
Rot. Bonds10

About (6E)-1-[ethyl(methyl)amino]-6-(1-fluoroethylidene)-3-methylundeca-7,10-dien-3-ol

(6E)-1-[ethyl(methyl)amino]-6-(1-fluoroethylidene)-3-methylundeca-7,10-dien-3-ol (PubChem CID 142816444) has the molecular formula C17H30FNO and a molecular weight of 283.43 g/mol. Its IUPAC name is (6E)-1-[ethyl(methyl)amino]-6-(1-fluoroethylidene)-3-methylundeca-7,10-dien-3-ol.

Molecular Properties

Compound Name(6E)-1-[ethyl(methyl)amino]-6-(1-fluoroethylidene)-3-methylundeca-7,10-dien-3-ol
PubChem CID142816444
Molecular FormulaC17H30FNO
Molecular Weight283.43 g/mol
Exact Mass283.23
IUPAC Name(6E)-1-[ethyl(methyl)amino]-6-(1-fluoroethylidene)-3-methylundeca-7,10-dien-3-ol
SMILESC=CCC=C/C(CCC(C)(O)CCN(C)CC)=C(\C)F
InChIInChI=1S/C17H30FNO/c1-6-8-9-10-16(15(3)18)11-12-17(4,20)13-14-19(5)7-2/h6,9-10,20H,1,7-8,11-14H2,2-5H3/b10-9?,16-15-
InChIKeyJMUPFWVQCMYXBB-JTZQVXJSSA-N
XLogP4.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.43
LogP ≤ 54.24
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

(9E)-4-[2-(dimethylamino)ethyl]-10-fluoro-6-methyldodeca-6,9,11-trien-4-ol
CID 143493862
4-[(Z,2Z)-2-ethylidenepent-3-enyl]-1-methylpiperidin-4-ol
CID 144145006
2-Cyclohexa-1,3-dien-1-yl-4-(dimethylamino)butan-2-ol
CID 144805027
4-[(4E,6E)-5-ethyl-2,6-dimethylnona-4,6-dienyl]-1-methylpiperidin-4-ol
CID 155358564
1-methyl-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-4-ol
CID 155472398

Frequently Asked Questions

What is the IUPAC name of (6E)-1-[ethyl(methyl)amino]-6-(1-fluoroethylidene)-3-methylundeca-7,10-dien-3-ol?
The IUPAC name of (6E)-1-[ethyl(methyl)amino]-6-(1-fluoroethylidene)-3-methylundeca-7,10-dien-3-ol (CID 142816444) is (6E)-1-[ethyl(methyl)amino]-6-(1-fluoroethylidene)-3-methylundeca-7,10-dien-3-ol.
What is the SMILES notation for (6E)-1-[ethyl(methyl)amino]-6-(1-fluoroethylidene)-3-methylundeca-7,10-dien-3-ol?
The canonical SMILES for (6E)-1-[ethyl(methyl)amino]-6-(1-fluoroethylidene)-3-methylundeca-7,10-dien-3-ol is C=CCC=C/C(CCC(C)(O)CCN(C)CC)=C(\C)F.
What is the InChIKey of (6E)-1-[ethyl(methyl)amino]-6-(1-fluoroethylidene)-3-methylundeca-7,10-dien-3-ol?
The InChIKey is JMUPFWVQCMYXBB-JTZQVXJSSA-N. The full InChI is InChI=1S/C17H30FNO/c1-6-8-9-10-16(15(3)18)11-12-17(4,20)13-14-19(5)7-2/h6,9-10,20H,1,7-8,11-14H2,2-5H3/b10-9?,16-15-.
What are the key properties of (6E)-1-[ethyl(methyl)amino]-6-(1-fluoroethylidene)-3-methylundeca-7,10-dien-3-ol?
(6E)-1-[ethyl(methyl)amino]-6-(1-fluoroethylidene)-3-methylundeca-7,10-dien-3-ol has a molecular weight of 283.43 g/mol, XLogP of 4.24, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-1-[ethyl(methyl)amino]-6-(1-fluoroethylidene)-3-methylundeca-7,10-dien-3-ol is sourced from PubChem (CID 142816444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).