3,3-dimethyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)but-1-en-2-amine

C11H20F3N — CID 164980647

IUPAC3,3-dimethyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)but-1-en-2-amine
SMILESC=C(NC(C(C)C)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H20F3N/c1-7(2)9(11(12,13)14)15-8(3)10(4,5)6/h7,9,15H,3H2,1-2,4-6H3
InChIKeyJCDLNLIOOXOHDR-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.72
Rot. Bonds3

About 3,3-dimethyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)but-1-en-2-amine

3,3-dimethyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)but-1-en-2-amine (PubChem CID 164980647) has the molecular formula C11H20F3N and a molecular weight of 223.28 g/mol. Its IUPAC name is 3,3-dimethyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)but-1-en-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)but-1-en-2-amine
PubChem CID164980647
Molecular FormulaC11H20F3N
Molecular Weight223.28 g/mol
Exact Mass223.15
IUPAC Name3,3-dimethyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)but-1-en-2-amine
SMILESC=C(NC(C(C)C)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H20F3N/c1-7(2)9(11(12,13)14)15-8(3)10(4,5)6/h7,9,15H,3H2,1-2,4-6H3
InChIKeyJCDLNLIOOXOHDR-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.72
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-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]propan-1-amine
CID 117669792
3,3-difluoro-N-propan-2-ylbut-1-en-2-amine
CID 131998087
N-(4,4-dimethylpent-1-en-2-yl)-N'-(3,3,3-trifluoroprop-1-en-2-yl)butane-1,4-diamine
CID 134441684
2,3-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-pyridine
CID 135212646
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
3-methyl-N-(2,2,2-trifluoroethyl)but-1-en-2-amine
CID 154671759
N-(2,2-difluoroethyl)-3-methylbut-1-en-2-amine
CID 155037031
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

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)but-1-en-2-amine?
The IUPAC name of 3,3-dimethyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)but-1-en-2-amine (CID 164980647) is 3,3-dimethyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)but-1-en-2-amine.
What is the SMILES notation for 3,3-dimethyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)but-1-en-2-amine?
The canonical SMILES for 3,3-dimethyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)but-1-en-2-amine is C=C(NC(C(C)C)C(F)(F)F)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)but-1-en-2-amine?
The InChIKey is JCDLNLIOOXOHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N/c1-7(2)9(11(12,13)14)15-8(3)10(4,5)6/h7,9,15H,3H2,1-2,4-6H3.
What are the key properties of 3,3-dimethyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)but-1-en-2-amine?
3,3-dimethyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)but-1-en-2-amine has a molecular weight of 223.28 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)but-1-en-2-amine is sourced from PubChem (CID 164980647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).