2-fluoro-N-methyl-6-prop-1-en-2-ylcycloheptan-1-amine

C11H20FN — CID 123961973

IUPAC2-fluoro-N-methyl-6-prop-1-en-2-ylcycloheptan-1-amine
SMILESC=C(C)C1CCCC(F)C(NC)C1
InChIInChI=1S/C11H20FN/c1-8(2)9-5-4-6-10(12)11(7-9)13-3/h9-11,13H,1,4-7H2,2-3H3
InChIKeyUFOGSOFPJFYSHL-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.68
Rot. Bonds2

About 2-fluoro-N-methyl-6-prop-1-en-2-ylcycloheptan-1-amine

2-fluoro-N-methyl-6-prop-1-en-2-ylcycloheptan-1-amine (PubChem CID 123961973) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 2-fluoro-N-methyl-6-prop-1-en-2-ylcycloheptan-1-amine.

Molecular Properties

Compound Name2-fluoro-N-methyl-6-prop-1-en-2-ylcycloheptan-1-amine
PubChem CID123961973
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name2-fluoro-N-methyl-6-prop-1-en-2-ylcycloheptan-1-amine
SMILESC=C(C)C1CCCC(F)C(NC)C1
InChIInChI=1S/C11H20FN/c1-8(2)9-5-4-6-10(12)11(7-9)13-3/h9-11,13H,1,4-7H2,2-3H3
InChIKeyUFOGSOFPJFYSHL-UHFFFAOYSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.68
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

4-Fluoro-2-(3-methylpent-1-en-2-yl)pyrrolidine
CID 123254453
2-fluoro-N,3-dimethyl-6-(4-methylpentyl)cyclohept-4-en-1-amine
CID 134389931
3,3-difluoro-N,7-dimethyl-6-methylideneoctan-1-amine
CID 134570911
8-fluoro-N,2-dimethyl-3-methylideneoctan-4-amine
CID 134571051
3-Fluoro-2-methyl-5-propan-2-yl-1,2,3,4-tetrahydropyridine
CID 146299779
2-fluoro-2-methyl-N-[4-[(1S,4S)-4-methylcycloheptyl]but-1-en-2-yl]propan-1-amine
CID 156099681
cis-(1S,3R)-3-fluoro-N-methyl-2-(2-methylbut-3-enyl)cyclohexan-1-amine
CID 163693207
5,7-diethyl-4-fluoro-N,8-dimethyldeca-1,8,9-trien-4-amine
CID 166976507
N,4-dimethyl-3-(trifluoromethyl)cyclohept-4-en-1-amine
CID 169901780
2,2,2-Trifluoro-1-(4-methylidenecycloheptyl)ethanamine
CID 172623807
1,1,1-trifluoro-5-methylidene-N-propyl-2-(trifluoromethyl)heptan-3-amine
CID 103312115
1,1,1-trifluoro-6-methyl-N-propyl-2-(trifluoromethyl)hept-6-en-3-amine
CID 103312293

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-6-prop-1-en-2-ylcycloheptan-1-amine?
The IUPAC name of 2-fluoro-N-methyl-6-prop-1-en-2-ylcycloheptan-1-amine (CID 123961973) is 2-fluoro-N-methyl-6-prop-1-en-2-ylcycloheptan-1-amine.
What is the SMILES notation for 2-fluoro-N-methyl-6-prop-1-en-2-ylcycloheptan-1-amine?
The canonical SMILES for 2-fluoro-N-methyl-6-prop-1-en-2-ylcycloheptan-1-amine is C=C(C)C1CCCC(F)C(NC)C1.
What is the InChIKey of 2-fluoro-N-methyl-6-prop-1-en-2-ylcycloheptan-1-amine?
The InChIKey is UFOGSOFPJFYSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-8(2)9-5-4-6-10(12)11(7-9)13-3/h9-11,13H,1,4-7H2,2-3H3.
What are the key properties of 2-fluoro-N-methyl-6-prop-1-en-2-ylcycloheptan-1-amine?
2-fluoro-N-methyl-6-prop-1-en-2-ylcycloheptan-1-amine has a molecular weight of 185.29 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-6-prop-1-en-2-ylcycloheptan-1-amine is sourced from PubChem (CID 123961973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).