2-fluoro-N,5-dimethylhex-4-en-1-amine

C8H16FN — CID 122239915

IUPAC2-fluoro-N,5-dimethylhex-4-en-1-amine
SMILESCNCC(F)CC=C(C)C
InChIInChI=1S/C8H16FN/c1-7(2)4-5-8(9)6-10-3/h4,8,10H,5-6H2,1-3H3
InChIKeyMKMMGWMWEXSHNY-UHFFFAOYSA-N
MW145.22 g/mol
LogP1.90
Rot. Bonds4

About 2-fluoro-N,5-dimethylhex-4-en-1-amine

2-fluoro-N,5-dimethylhex-4-en-1-amine (PubChem CID 122239915) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is 2-fluoro-N,5-dimethylhex-4-en-1-amine.

Molecular Properties

Compound Name2-fluoro-N,5-dimethylhex-4-en-1-amine
PubChem CID122239915
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name2-fluoro-N,5-dimethylhex-4-en-1-amine
SMILESCNCC(F)CC=C(C)C
InChIInChI=1S/C8H16FN/c1-7(2)4-5-8(9)6-10-3/h4,8,10H,5-6H2,1-3H3
InChIKeyMKMMGWMWEXSHNY-UHFFFAOYSA-N
XLogP1.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,5-dimethylhex-4-en-1-amine?
The IUPAC name of 2-fluoro-N,5-dimethylhex-4-en-1-amine (CID 122239915) is 2-fluoro-N,5-dimethylhex-4-en-1-amine.
What is the SMILES notation for 2-fluoro-N,5-dimethylhex-4-en-1-amine?
The canonical SMILES for 2-fluoro-N,5-dimethylhex-4-en-1-amine is CNCC(F)CC=C(C)C.
What is the InChIKey of 2-fluoro-N,5-dimethylhex-4-en-1-amine?
The InChIKey is MKMMGWMWEXSHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-7(2)4-5-8(9)6-10-3/h4,8,10H,5-6H2,1-3H3.
What are the key properties of 2-fluoro-N,5-dimethylhex-4-en-1-amine?
2-fluoro-N,5-dimethylhex-4-en-1-amine has a molecular weight of 145.22 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,5-dimethylhex-4-en-1-amine is sourced from PubChem (CID 122239915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).