3-butyl-N-fluoro-N-methyloct-1-en-2-amine

C13H26FN — CID 167064835

IUPAC3-butyl-N-fluoro-N-methyloct-1-en-2-amine
SMILESC=C(C(CCCC)CCCCC)N(C)F
InChIInChI=1S/C13H26FN/c1-5-7-9-11-13(10-8-6-2)12(3)15(4)14/h13H,3,5-11H2,1-2,4H3
InChIKeyMEZXNHAMHFOVHS-UHFFFAOYSA-N
MW215.36 g/mol
LogP4.70
Rot. Bonds9

About 3-butyl-N-fluoro-N-methyloct-1-en-2-amine

3-butyl-N-fluoro-N-methyloct-1-en-2-amine (PubChem CID 167064835) has the molecular formula C13H26FN and a molecular weight of 215.36 g/mol. Its IUPAC name is 3-butyl-N-fluoro-N-methyloct-1-en-2-amine.

Molecular Properties

Compound Name3-butyl-N-fluoro-N-methyloct-1-en-2-amine
PubChem CID167064835
Molecular FormulaC13H26FN
Molecular Weight215.36 g/mol
Exact Mass215.20
IUPAC Name3-butyl-N-fluoro-N-methyloct-1-en-2-amine
SMILESC=C(C(CCCC)CCCCC)N(C)F
InChIInChI=1S/C13H26FN/c1-5-7-9-11-13(10-8-6-2)12(3)15(4)14/h13H,3,5-11H2,1-2,4H3
InChIKeyMEZXNHAMHFOVHS-UHFFFAOYSA-N
XLogP4.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze 3-butyl-N-fluoro-N-methyloct-1-en-2-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-butyl-N-fluoro-N-methyloct-1-en-2-amine?
The IUPAC name of 3-butyl-N-fluoro-N-methyloct-1-en-2-amine (CID 167064835) is 3-butyl-N-fluoro-N-methyloct-1-en-2-amine.
What is the SMILES notation for 3-butyl-N-fluoro-N-methyloct-1-en-2-amine?
The canonical SMILES for 3-butyl-N-fluoro-N-methyloct-1-en-2-amine is C=C(C(CCCC)CCCCC)N(C)F.
What is the InChIKey of 3-butyl-N-fluoro-N-methyloct-1-en-2-amine?
The InChIKey is MEZXNHAMHFOVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FN/c1-5-7-9-11-13(10-8-6-2)12(3)15(4)14/h13H,3,5-11H2,1-2,4H3.
What are the key properties of 3-butyl-N-fluoro-N-methyloct-1-en-2-amine?
3-butyl-N-fluoro-N-methyloct-1-en-2-amine has a molecular weight of 215.36 g/mol, XLogP of 4.70, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-N-fluoro-N-methyloct-1-en-2-amine is sourced from PubChem (CID 167064835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).