3-fluoro-N,N,3,6-tetramethylhept-6-en-1-amine

C11H22FN — CID 155274741

IUPAC3-fluoro-N,N,3,6-tetramethylhept-6-en-1-amine
SMILESC=C(C)CCC(C)(F)CCN(C)C
InChIInChI=1S/C11H22FN/c1-10(2)6-7-11(3,12)8-9-13(4)5/h1,6-9H2,2-5H3
InChIKeyBPIOUABRKVABGV-UHFFFAOYSA-N
MW187.30 g/mol
LogP3.02
Rot. Bonds6

About 3-fluoro-N,N,3,6-tetramethylhept-6-en-1-amine

3-fluoro-N,N,3,6-tetramethylhept-6-en-1-amine (PubChem CID 155274741) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is 3-fluoro-N,N,3,6-tetramethylhept-6-en-1-amine.

Molecular Properties

Compound Name3-fluoro-N,N,3,6-tetramethylhept-6-en-1-amine
PubChem CID155274741
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name3-fluoro-N,N,3,6-tetramethylhept-6-en-1-amine
SMILESC=C(C)CCC(C)(F)CCN(C)C
InChIInChI=1S/C11H22FN/c1-10(2)6-7-11(3,12)8-9-13(4)5/h1,6-9H2,2-5H3
InChIKeyBPIOUABRKVABGV-UHFFFAOYSA-N
XLogP3.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-fluoro-N,N,3,6-tetramethylhept-6-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,3,6-tetramethylhept-6-en-1-amine?
The IUPAC name of 3-fluoro-N,N,3,6-tetramethylhept-6-en-1-amine (CID 155274741) is 3-fluoro-N,N,3,6-tetramethylhept-6-en-1-amine.
What is the SMILES notation for 3-fluoro-N,N,3,6-tetramethylhept-6-en-1-amine?
The canonical SMILES for 3-fluoro-N,N,3,6-tetramethylhept-6-en-1-amine is C=C(C)CCC(C)(F)CCN(C)C.
What is the InChIKey of 3-fluoro-N,N,3,6-tetramethylhept-6-en-1-amine?
The InChIKey is BPIOUABRKVABGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN/c1-10(2)6-7-11(3,12)8-9-13(4)5/h1,6-9H2,2-5H3.
What are the key properties of 3-fluoro-N,N,3,6-tetramethylhept-6-en-1-amine?
3-fluoro-N,N,3,6-tetramethylhept-6-en-1-amine has a molecular weight of 187.30 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,N,3,6-tetramethylhept-6-en-1-amine is sourced from PubChem (CID 155274741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).