N-(3-fluoro-3-methylbut-1-en-2-yl)-3,3-dimethylbutan-2-amine

C11H22FN — CID 166466547

IUPACN-(3-fluoro-3-methylbut-1-en-2-yl)-3,3-dimethylbutan-2-amine
SMILESC=C(NC(C)C(C)(C)C)C(C)(C)F
InChIInChI=1S/C11H22FN/c1-8(10(3,4)5)13-9(2)11(6,7)12/h8,13H,2H2,1,3-7H3
InChIKeyXSEHYANPXUFUJQ-UHFFFAOYSA-N
MW187.30 g/mol
LogP3.27
Rot. Bonds3

About N-(3-fluoro-3-methylbut-1-en-2-yl)-3,3-dimethylbutan-2-amine

N-(3-fluoro-3-methylbut-1-en-2-yl)-3,3-dimethylbutan-2-amine (PubChem CID 166466547) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is N-(3-fluoro-3-methylbut-1-en-2-yl)-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-(3-fluoro-3-methylbut-1-en-2-yl)-3,3-dimethylbutan-2-amine
PubChem CID166466547
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC NameN-(3-fluoro-3-methylbut-1-en-2-yl)-3,3-dimethylbutan-2-amine
SMILESC=C(NC(C)C(C)(C)C)C(C)(C)F
InChIInChI=1S/C11H22FN/c1-8(10(3,4)5)13-9(2)11(6,7)12/h8,13H,2H2,1,3-7H3
InChIKeyXSEHYANPXUFUJQ-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-dimethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-amine
CID 58530456
N-(4,4-dimethylpent-1-en-2-yl)-N'-(3,3,3-trifluoroprop-1-en-2-yl)butane-1,4-diamine
CID 134441684
4-N-(3-fluoro-3-methylbutyl)-3,3-dimethylpenta-1,4-diene-2,4-diamine
CID 145203204
3-fluoro-3-methyl-N-propan-2-ylbut-1-en-2-amine
CID 146341897
N-(2-fluoro-2-methylpropyl)-3-methylbut-1-en-2-amine
CID 146536937
2-fluoro-3,3-dimethyl-N-(3-methylbut-1-en-2-yl)butan-1-amine
CID 153602081
1,1,1-trifluoro-3,3-dimethyl-N-prop-1-en-2-ylbutan-2-amine
CID 163590280
2-fluoro-3-methyl-N-(3-methylbut-1-en-2-yl)butan-1-amine
CID 170005371
N-but-1-en-2-yl-2-fluoro-3,3-dimethylpentan-1-amine
CID 174252636
N-but-1-en-2-yl-2,3-dimethyl-2-(trifluoromethyl)butan-1-amine
CID 162616930
3,3-dimethyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)but-1-en-2-amine
CID 164980647
N-[1-(1-fluorocyclopropyl)ethenyl]-3,3-dimethylbutan-2-amine
CID 169254538

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-3-methylbut-1-en-2-yl)-3,3-dimethylbutan-2-amine?
The IUPAC name of N-(3-fluoro-3-methylbut-1-en-2-yl)-3,3-dimethylbutan-2-amine (CID 166466547) is N-(3-fluoro-3-methylbut-1-en-2-yl)-3,3-dimethylbutan-2-amine.
What is the SMILES notation for N-(3-fluoro-3-methylbut-1-en-2-yl)-3,3-dimethylbutan-2-amine?
The canonical SMILES for N-(3-fluoro-3-methylbut-1-en-2-yl)-3,3-dimethylbutan-2-amine is C=C(NC(C)C(C)(C)C)C(C)(C)F.
What is the InChIKey of N-(3-fluoro-3-methylbut-1-en-2-yl)-3,3-dimethylbutan-2-amine?
The InChIKey is XSEHYANPXUFUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN/c1-8(10(3,4)5)13-9(2)11(6,7)12/h8,13H,2H2,1,3-7H3.
What are the key properties of N-(3-fluoro-3-methylbut-1-en-2-yl)-3,3-dimethylbutan-2-amine?
N-(3-fluoro-3-methylbut-1-en-2-yl)-3,3-dimethylbutan-2-amine has a molecular weight of 187.30 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-3-methylbut-1-en-2-yl)-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 166466547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).