8-fluoro-N,2-dimethyl-3-methylideneoctan-4-amine

C11H22FN — CID 134571051

IUPAC8-fluoro-N,2-dimethyl-3-methylideneoctan-4-amine
SMILESC=C(C(C)C)C(CCCCF)NC
InChIInChI=1S/C11H22FN/c1-9(2)10(3)11(13-4)7-5-6-8-12/h9,11,13H,3,5-8H2,1-2,4H3
InChIKeyWAEXNXQXCRVEIA-UHFFFAOYSA-N
MW187.30 g/mol
LogP2.93
Rot. Bonds7

About 8-fluoro-N,2-dimethyl-3-methylideneoctan-4-amine

8-fluoro-N,2-dimethyl-3-methylideneoctan-4-amine (PubChem CID 134571051) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is 8-fluoro-N,2-dimethyl-3-methylideneoctan-4-amine.

Molecular Properties

Compound Name8-fluoro-N,2-dimethyl-3-methylideneoctan-4-amine
PubChem CID134571051
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name8-fluoro-N,2-dimethyl-3-methylideneoctan-4-amine
SMILESC=C(C(C)C)C(CCCCF)NC
InChIInChI=1S/C11H22FN/c1-9(2)10(3)11(13-4)7-5-6-8-12/h9,11,13H,3,5-8H2,1-2,4H3
InChIKeyWAEXNXQXCRVEIA-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-Methyl-3-methylidenenonan-4-amine
CID 134224352
7-methyl-6-methylidene-5-N-propan-2-yloctane-1,5-diamine
CID 134414937
2-[5-(Trifluoromethyl)hept-1-en-2-yl]piperidine
CID 70329148
(3R)-2-methyl-6-(trifluoromethyl)oct-1-en-3-amine
CID 89073715
2-Methyl-6-(trifluoromethyl)oct-1-en-3-amine
CID 89154096
(2S,4S)-4-fluoro-2-(3-methylbut-1-en-2-yl)pyrrolidine
CID 89494790
4-Fluoro-4-methyl-2-(3-methylbut-1-en-2-yl)pyrrolidine
CID 91554489
4-Fluoro-2-(3-methylpent-1-en-2-yl)pyrrolidine
CID 123254453
2-fluoro-N-methyl-6-prop-1-en-2-ylcycloheptan-1-amine
CID 123961973
3,3-difluoro-N,7-dimethyl-6-methylideneoctan-1-amine
CID 134570911
3-Fluoro-2-methyl-5-propan-2-yl-1,2,3,4-tetrahydropyridine
CID 146299779
cis-(1S,3R)-3-fluoro-N-methyl-2-(2-methylbut-3-enyl)cyclohexan-1-amine
CID 163693207

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N,2-dimethyl-3-methylideneoctan-4-amine?
The IUPAC name of 8-fluoro-N,2-dimethyl-3-methylideneoctan-4-amine (CID 134571051) is 8-fluoro-N,2-dimethyl-3-methylideneoctan-4-amine.
What is the SMILES notation for 8-fluoro-N,2-dimethyl-3-methylideneoctan-4-amine?
The canonical SMILES for 8-fluoro-N,2-dimethyl-3-methylideneoctan-4-amine is C=C(C(C)C)C(CCCCF)NC.
What is the InChIKey of 8-fluoro-N,2-dimethyl-3-methylideneoctan-4-amine?
The InChIKey is WAEXNXQXCRVEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN/c1-9(2)10(3)11(13-4)7-5-6-8-12/h9,11,13H,3,5-8H2,1-2,4H3.
What are the key properties of 8-fluoro-N,2-dimethyl-3-methylideneoctan-4-amine?
8-fluoro-N,2-dimethyl-3-methylideneoctan-4-amine has a molecular weight of 187.30 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N,2-dimethyl-3-methylideneoctan-4-amine is sourced from PubChem (CID 134571051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).