3-fluoro-N,N,3-trimethyl-6-methylideneoct-7-en-1-amine

C12H22FN — CID 155274720

IUPAC3-fluoro-N,N,3-trimethyl-6-methylideneoct-7-en-1-amine
SMILESC=CC(=C)CCC(C)(F)CCN(C)C
InChIInChI=1S/C12H22FN/c1-6-11(2)7-8-12(3,13)9-10-14(4)5/h6H,1-2,7-10H2,3-5H3
InChIKeyMLTMEUQALLGDRA-UHFFFAOYSA-N
MW199.31 g/mol
LogP3.19
Rot. Bonds7

About 3-fluoro-N,N,3-trimethyl-6-methylideneoct-7-en-1-amine

3-fluoro-N,N,3-trimethyl-6-methylideneoct-7-en-1-amine (PubChem CID 155274720) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is 3-fluoro-N,N,3-trimethyl-6-methylideneoct-7-en-1-amine.

Molecular Properties

Compound Name3-fluoro-N,N,3-trimethyl-6-methylideneoct-7-en-1-amine
PubChem CID155274720
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC Name3-fluoro-N,N,3-trimethyl-6-methylideneoct-7-en-1-amine
SMILESC=CC(=C)CCC(C)(F)CCN(C)C
InChIInChI=1S/C12H22FN/c1-6-11(2)7-8-12(3,13)9-10-14(4)5/h6H,1-2,7-10H2,3-5H3
InChIKeyMLTMEUQALLGDRA-UHFFFAOYSA-N
XLogP3.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-fluoro-N,N,3-trimethyl-6-methylideneoct-7-en-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,N,3-trimethyl-6-methylideneoct-7-en-1-amine?
The IUPAC name of 3-fluoro-N,N,3-trimethyl-6-methylideneoct-7-en-1-amine (CID 155274720) is 3-fluoro-N,N,3-trimethyl-6-methylideneoct-7-en-1-amine.
What is the SMILES notation for 3-fluoro-N,N,3-trimethyl-6-methylideneoct-7-en-1-amine?
The canonical SMILES for 3-fluoro-N,N,3-trimethyl-6-methylideneoct-7-en-1-amine is C=CC(=C)CCC(C)(F)CCN(C)C.
What is the InChIKey of 3-fluoro-N,N,3-trimethyl-6-methylideneoct-7-en-1-amine?
The InChIKey is MLTMEUQALLGDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN/c1-6-11(2)7-8-12(3,13)9-10-14(4)5/h6H,1-2,7-10H2,3-5H3.
What are the key properties of 3-fluoro-N,N,3-trimethyl-6-methylideneoct-7-en-1-amine?
3-fluoro-N,N,3-trimethyl-6-methylideneoct-7-en-1-amine has a molecular weight of 199.31 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,N,3-trimethyl-6-methylideneoct-7-en-1-amine is sourced from PubChem (CID 155274720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).