N-(2-methylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine

C8H14F3N — CID 106210342

IUPACN-(2-methylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCC(C)CNC1(C(F)(F)F)CC1
InChIInChI=1S/C8H14F3N/c1-6(2)5-12-7(3-4-7)8(9,10)11/h6,12H,3-5H2,1-2H3
InChIKeyKLXUUOMOYSVVBK-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.33
Rot. Bonds3

About N-(2-methylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine

N-(2-methylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106210342) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106210342
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC NameN-(2-methylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCC(C)CNC1(C(F)(F)F)CC1
InChIInChI=1S/C8H14F3N/c1-6(2)5-12-7(3-4-7)8(9,10)11/h6,12H,3-5H2,1-2H3
InChIKeyKLXUUOMOYSVVBK-UHFFFAOYSA-N
XLogP2.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Tert-butyl(2,2,2-trifluoroethyl)amine
CID 20626700
N-methyl-1-(trifluoromethyl)cyclopropan-1-amine hydrochloride
CID 66570531
1-(difluoromethyl)-N-methylcyclopropan-1-aminehydrochloride
CID 165460265
1,1,1,3,3,3-hexafluoro-N-propyl-2-(trifluoromethyl)propan-2-amine
CID 19354703
(Cyclopropylmethyl)(3,3,3-trifluoropropyl)amine
CID 21916158
(Cyclopropylmethyl)(2,2,2-trifluoroethyl)amine
CID 21916227
(2-Methylpropyl)(2,2,2-trifluoroethyl)amine
CID 24711079
2-methyl-N-(3,3,3-trifluoropropyl)propan-2-amine
CID 57531815
N-propan-2-yl-1-(trifluoromethyl)cyclopropan-1-amine
CID 57846664
(2S)-N-tert-butyl-1,1,1-trifluorobutan-2-amine
CID 59409495
N-(2,2-difluoroethyl)-2-methylpropan-2-amine
CID 59439105
N-(2,2-difluoropropyl)-2-methylpropan-2-amine
CID 59655705

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-(2-methylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine (CID 106210342) is N-(2-methylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine is CC(C)CNC1(C(F)(F)F)CC1.
What is the InChIKey of N-(2-methylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is KLXUUOMOYSVVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N/c1-6(2)5-12-7(3-4-7)8(9,10)11/h6,12H,3-5H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine?
N-(2-methylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 181.20 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106210342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).