N-propan-2-yl-3-(trifluoromethyl)cyclobutan-1-amine

C8H14F3N — CID 131104076

IUPACN-propan-2-yl-3-(trifluoromethyl)cyclobutan-1-amine
SMILESCC(C)NC1CC(C(F)(F)F)C1
InChIInChI=1S/C8H14F3N/c1-5(2)12-7-3-6(4-7)8(9,10)11/h5-7,12H,3-4H2,1-2H3
InChIKeyQETPAYBMDGFSJV-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.33
Rot. Bonds2

About N-propan-2-yl-3-(trifluoromethyl)cyclobutan-1-amine

N-propan-2-yl-3-(trifluoromethyl)cyclobutan-1-amine (PubChem CID 131104076) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is N-propan-2-yl-3-(trifluoromethyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-3-(trifluoromethyl)cyclobutan-1-amine
PubChem CID131104076
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC NameN-propan-2-yl-3-(trifluoromethyl)cyclobutan-1-amine
SMILESCC(C)NC1CC(C(F)(F)F)C1
InChIInChI=1S/C8H14F3N/c1-5(2)12-7-3-6(4-7)8(9,10)11/h5-7,12H,3-4H2,1-2H3
InChIKeyQETPAYBMDGFSJV-UHFFFAOYSA-N
XLogP2.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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

1-N,3-N,5-N-tri(propan-2-yl)cyclohexane-1,3,5-triamine
CID 101492125
N-propan-2-ylbicyclo[3.3.1]nonan-3-amine
CID 59530623
3,5-dimethyl-N-propan-2-ylcyclohexan-1-amine
CID 21034318
1-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)cyclobutyl]amino]hexan-1-one
CID 178108353
N-pentan-2-yl-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747435
(3S)-1-propan-2-yl-3-(trifluoromethyl)cyclohexane
CID 146632246
N-propan-2-yl-4-[2-[4-(propan-2-ylamino)cyclohexyl]propan-2-yl]cyclohexan-1-amine
CID 167000939
trans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 39870295
3-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide
CID 113250164
1-methyl-N-propan-2-ylazetidin-3-amine
CID 129045420
3-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
CID 113492081
N-(1-cyclopropylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64917573

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-(trifluoromethyl)cyclobutan-1-amine?
The IUPAC name of N-propan-2-yl-3-(trifluoromethyl)cyclobutan-1-amine (CID 131104076) is N-propan-2-yl-3-(trifluoromethyl)cyclobutan-1-amine.
What is the SMILES notation for N-propan-2-yl-3-(trifluoromethyl)cyclobutan-1-amine?
The canonical SMILES for N-propan-2-yl-3-(trifluoromethyl)cyclobutan-1-amine is CC(C)NC1CC(C(F)(F)F)C1.
What is the InChIKey of N-propan-2-yl-3-(trifluoromethyl)cyclobutan-1-amine?
The InChIKey is QETPAYBMDGFSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N/c1-5(2)12-7-3-6(4-7)8(9,10)11/h5-7,12H,3-4H2,1-2H3.
What are the key properties of N-propan-2-yl-3-(trifluoromethyl)cyclobutan-1-amine?
N-propan-2-yl-3-(trifluoromethyl)cyclobutan-1-amine has a molecular weight of 181.20 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(trifluoromethyl)cyclobutan-1-amine is sourced from PubChem (CID 131104076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).