3-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-1-en-2-amine

C12H20F3N — CID 155730429

IUPAC3-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-1-en-2-amine
SMILESC=C(NCC(F)(F)F)C(C1CC1)C(C)(C)C
InChIInChI=1S/C12H20F3N/c1-8(16-7-12(13,14)15)10(9-5-6-9)11(2,3)4/h9-10,16H,1,5-7H2,2-4H3
InChIKeySYYDFSIAXIYSDW-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.72
Rot. Bonds4

About 3-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-1-en-2-amine

3-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-1-en-2-amine (PubChem CID 155730429) has the molecular formula C12H20F3N and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-1-en-2-amine.

Molecular Properties

Compound Name3-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-1-en-2-amine
PubChem CID155730429
Molecular FormulaC12H20F3N
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC Name3-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-1-en-2-amine
SMILESC=C(NCC(F)(F)F)C(C1CC1)C(C)(C)C
InChIInChI=1S/C12H20F3N/c1-8(16-7-12(13,14)15)10(9-5-6-9)11(2,3)4/h9-10,16H,1,5-7H2,2-4H3
InChIKeySYYDFSIAXIYSDW-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-dimethyl-N-(2,2,2-trifluoroethyl)hept-1-en-2-amine
CID 143513257
(4R,5S)-2-N-(2,2-dimethylpropyl)-3,3-difluoro-4,6-dimethylhept-1-ene-2,5-diamine
CID 145185610
(4R,5S)-2-N-ethyl-3,3-difluoro-4,6-dimethylhept-1-ene-2,5-diamine
CID 145185621
N-[1-(3,3-difluoro-1-methylcyclobutyl)ethenyl]-2-methylpropan-1-amine
CID 164556248
3-(2,2-Dimethylpropyl)-2-methylidene-5-(trifluoromethyl)pyrrolidine
CID 174169277
N-(1-cyclopropylpropan-2-yl)-3-fluoro-4-methylpent-1-en-2-amine
CID 174325971
1-(2,2-difluorospiro[2.3]hexan-5-yl)-N-methylethenamine
CID 175611558
N-(2-ethyl-4-fluorobutyl)-4,4-dimethylhex-1-en-2-amine
CID 153384724
N-but-1-en-2-yl-2,3-dimethyl-2-(trifluoromethyl)butan-1-amine
CID 162616930
(2R)-N-[1-[(1R,5S)-3,3-difluoro-6-bicyclo[3.1.0]hexanyl]ethenyl]-3-methylbutan-2-amine
CID 164973244
1,2-Dimethyl-5-methylidene-6-azaspiro[2.4]heptane
CID 20774456
N-[2-[(1S,2S)-2-ethyl-2-methylcyclopropyl]ethyl]prop-1-en-2-amine
CID 59093097

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-1-en-2-amine?
The IUPAC name of 3-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-1-en-2-amine (CID 155730429) is 3-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-1-en-2-amine.
What is the SMILES notation for 3-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-1-en-2-amine?
The canonical SMILES for 3-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-1-en-2-amine is C=C(NCC(F)(F)F)C(C1CC1)C(C)(C)C.
What is the InChIKey of 3-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-1-en-2-amine?
The InChIKey is SYYDFSIAXIYSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N/c1-8(16-7-12(13,14)15)10(9-5-6-9)11(2,3)4/h9-10,16H,1,5-7H2,2-4H3.
What are the key properties of 3-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-1-en-2-amine?
3-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-1-en-2-amine has a molecular weight of 235.29 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-1-en-2-amine is sourced from PubChem (CID 155730429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).