2-cyclopropyl-6,6,6-trifluoro-N-propylhexan-3-amine

C12H22F3N — CID 104992954

IUPAC2-cyclopropyl-6,6,6-trifluoro-N-propylhexan-3-amine
SMILESCCCNC(CCC(F)(F)F)C(C)C1CC1
InChIInChI=1S/C12H22F3N/c1-3-8-16-11(6-7-12(13,14)15)9(2)10-4-5-10/h9-11,16H,3-8H2,1-2H3
InChIKeyVTJREEIQJPWKBB-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.74
Rot. Bonds7

About 2-cyclopropyl-6,6,6-trifluoro-N-propylhexan-3-amine

2-cyclopropyl-6,6,6-trifluoro-N-propylhexan-3-amine (PubChem CID 104992954) has the molecular formula C12H22F3N and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-cyclopropyl-6,6,6-trifluoro-N-propylhexan-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-6,6,6-trifluoro-N-propylhexan-3-amine
PubChem CID104992954
Molecular FormulaC12H22F3N
Molecular Weight237.31 g/mol
Exact Mass237.17
IUPAC Name2-cyclopropyl-6,6,6-trifluoro-N-propylhexan-3-amine
SMILESCCCNC(CCC(F)(F)F)C(C)C1CC1
InChIInChI=1S/C12H22F3N/c1-3-8-16-11(6-7-12(13,14)15)9(2)10-4-5-10/h9-11,16H,3-8H2,1-2H3
InChIKeyVTJREEIQJPWKBB-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6,6,6-trifluoro-2-methylsulfonyl-N-propylhexan-3-amine
CID 104992670
1-cyclopentyl-6,6,6-trifluoro-N-propylhexan-3-amine
CID 104992726
3-cyclopropyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 115831160
1,1-dicyclopropyl-5-methyl-N-propylhexan-2-amine
CID 112743726
5,5,5-trifluoro-1-(oxan-4-yl)-N-propylpentan-2-amine
CID 79965180
4,4,4-trifluoro-N-propyl-1-(thian-2-yl)butan-1-amine
CID 80626408
1-cyclohexyl-4-methyl-N-propylpentan-3-amine
CID 63399865
3-cyclopropyl-1-(3-fluorophenyl)-N-propylbutan-2-amine
CID 83154233
1-(5-chloro-2-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine
CID 103052942
3-methyl-N-propyl-1-[3-(trifluoromethyl)pyrrolidin-1-yl]butan-2-amine
CID 114271797
N-[1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]propan-1-amine
CID 63854116
1-(3-bicyclo[3.1.0]hexanyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105023867

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6,6,6-trifluoro-N-propylhexan-3-amine?
The IUPAC name of 2-cyclopropyl-6,6,6-trifluoro-N-propylhexan-3-amine (CID 104992954) is 2-cyclopropyl-6,6,6-trifluoro-N-propylhexan-3-amine.
What is the SMILES notation for 2-cyclopropyl-6,6,6-trifluoro-N-propylhexan-3-amine?
The canonical SMILES for 2-cyclopropyl-6,6,6-trifluoro-N-propylhexan-3-amine is CCCNC(CCC(F)(F)F)C(C)C1CC1.
What is the InChIKey of 2-cyclopropyl-6,6,6-trifluoro-N-propylhexan-3-amine?
The InChIKey is VTJREEIQJPWKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N/c1-3-8-16-11(6-7-12(13,14)15)9(2)10-4-5-10/h9-11,16H,3-8H2,1-2H3.
What are the key properties of 2-cyclopropyl-6,6,6-trifluoro-N-propylhexan-3-amine?
2-cyclopropyl-6,6,6-trifluoro-N-propylhexan-3-amine has a molecular weight of 237.31 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6,6,6-trifluoro-N-propylhexan-3-amine is sourced from PubChem (CID 104992954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).