2-fluoro-N,4-dimethylpent-4-en-1-amine

C7H14FN — CID 122239975

IUPAC2-fluoro-N,4-dimethylpent-4-en-1-amine
SMILESC=C(C)CC(F)CNC
InChIInChI=1S/C7H14FN/c1-6(2)4-7(8)5-9-3/h7,9H,1,4-5H2,2-3H3
InChIKeyAROKPLFDUGCNLA-UHFFFAOYSA-N
MW131.19 g/mol
LogP1.51
Rot. Bonds4

About 2-fluoro-N,4-dimethylpent-4-en-1-amine

2-fluoro-N,4-dimethylpent-4-en-1-amine (PubChem CID 122239975) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is 2-fluoro-N,4-dimethylpent-4-en-1-amine.

Molecular Properties

Compound Name2-fluoro-N,4-dimethylpent-4-en-1-amine
PubChem CID122239975
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name2-fluoro-N,4-dimethylpent-4-en-1-amine
SMILESC=C(C)CC(F)CNC
InChIInChI=1S/C7H14FN/c1-6(2)4-7(8)5-9-3/h7,9H,1,4-5H2,2-3H3
InChIKeyAROKPLFDUGCNLA-UHFFFAOYSA-N
XLogP1.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-Methyltetrahydropyridine
CID 21721295
6,6-difluoro-N,5-dimethyl-2-methylidenehex-5-en-1-amine
CID 58962877
4-(Fluoromethylene)piperidine
CID 73813441
2-Fluoro-3-methylidenepiperidine
CID 90706861
3-Fluoro-5-methylidenepiperidine
CID 91005006
4-Fluoro-3-methylidenepiperidine
CID 91085263
2-Fluoro-5-methylidenepiperidine
CID 91148357
3-Fluoro-4-methylpent-4-en-1-amine
CID 104277036
5-fluoro-N-methylhex-5-en-2-amine
CID 123972978
3-Fluoro-5-propyl-1,2,3,4-tetrahydropyridine
CID 135244622
N-ethyl-4-fluoro-2-methylidenebutan-1-amine
CID 155190251
3-methylidene-N-(2,2,2-trifluoroethyl)pentan-1-amine
CID 170259901

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,4-dimethylpent-4-en-1-amine?
The IUPAC name of 2-fluoro-N,4-dimethylpent-4-en-1-amine (CID 122239975) is 2-fluoro-N,4-dimethylpent-4-en-1-amine.
What is the SMILES notation for 2-fluoro-N,4-dimethylpent-4-en-1-amine?
The canonical SMILES for 2-fluoro-N,4-dimethylpent-4-en-1-amine is C=C(C)CC(F)CNC.
What is the InChIKey of 2-fluoro-N,4-dimethylpent-4-en-1-amine?
The InChIKey is AROKPLFDUGCNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN/c1-6(2)4-7(8)5-9-3/h7,9H,1,4-5H2,2-3H3.
What are the key properties of 2-fluoro-N,4-dimethylpent-4-en-1-amine?
2-fluoro-N,4-dimethylpent-4-en-1-amine has a molecular weight of 131.19 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,4-dimethylpent-4-en-1-amine is sourced from PubChem (CID 122239975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).