3-[(3-fluoro-2-methylpenta-2,4-dienyl)amino]butan-1-ol

C10H18FNO — CID 123870817

IUPAC3-[(3-fluoro-2-methylpenta-2,4-dienyl)amino]butan-1-ol
SMILESC=CC(F)=C(C)CNC(C)CCO
InChIInChI=1S/C10H18FNO/c1-4-10(11)8(2)7-12-9(3)5-6-13/h4,9,12-13H,1,5-7H2,2-3H3
InChIKeyZUEKTISUBCUMSX-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.78
Rot. Bonds6

About 3-[(3-fluoro-2-methylpenta-2,4-dienyl)amino]butan-1-ol

3-[(3-fluoro-2-methylpenta-2,4-dienyl)amino]butan-1-ol (PubChem CID 123870817) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 3-[(3-fluoro-2-methylpenta-2,4-dienyl)amino]butan-1-ol.

Molecular Properties

Compound Name3-[(3-fluoro-2-methylpenta-2,4-dienyl)amino]butan-1-ol
PubChem CID123870817
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name3-[(3-fluoro-2-methylpenta-2,4-dienyl)amino]butan-1-ol
SMILESC=CC(F)=C(C)CNC(C)CCO
InChIInChI=1S/C10H18FNO/c1-4-10(11)8(2)7-12-9(3)5-6-13/h4,9,12-13H,1,5-7H2,2-3H3
InChIKeyZUEKTISUBCUMSX-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(3-fluoro-2-methylpenta-2,4-dienyl)amino]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-3-[[(2E)-2-methylpenta-2,4-dienyl]amino]butan-1-ol
CID 121388612
2-(4-Methylpenta-1,3-dien-3-ylamino)butan-1-ol
CID 169933035
3-(3-Methylbut-2-enylamino)butan-1-ol
CID 103522708
2-Methyl-3-(3-methylbut-2-enylamino)butan-1-ol
CID 106547222
3-(3-Methylbut-2-enylamino)pentan-1-ol
CID 106547225
3-[[(E)-but-2-enyl]amino]butan-1-ol
CID 107899197
3-[[(E)-but-2-enyl]amino]-2-methylbutan-1-ol
CID 107899264

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-2-methylpenta-2,4-dienyl)amino]butan-1-ol?
The IUPAC name of 3-[(3-fluoro-2-methylpenta-2,4-dienyl)amino]butan-1-ol (CID 123870817) is 3-[(3-fluoro-2-methylpenta-2,4-dienyl)amino]butan-1-ol.
What is the SMILES notation for 3-[(3-fluoro-2-methylpenta-2,4-dienyl)amino]butan-1-ol?
The canonical SMILES for 3-[(3-fluoro-2-methylpenta-2,4-dienyl)amino]butan-1-ol is C=CC(F)=C(C)CNC(C)CCO.
What is the InChIKey of 3-[(3-fluoro-2-methylpenta-2,4-dienyl)amino]butan-1-ol?
The InChIKey is ZUEKTISUBCUMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-4-10(11)8(2)7-12-9(3)5-6-13/h4,9,12-13H,1,5-7H2,2-3H3.
What are the key properties of 3-[(3-fluoro-2-methylpenta-2,4-dienyl)amino]butan-1-ol?
3-[(3-fluoro-2-methylpenta-2,4-dienyl)amino]butan-1-ol has a molecular weight of 187.26 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-2-methylpenta-2,4-dienyl)amino]butan-1-ol is sourced from PubChem (CID 123870817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).