N-[oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine

C15H26F3NO — CID 105147646

IUPACN-[oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNC(C1CCOC1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H26F3NO/c1-2-8-19-14(11-7-9-20-10-11)12-5-3-4-6-13(12)15(16,17)18/h11-14,19H,2-10H2,1H3
InChIKeySKWIKXDUFGBLNT-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.76
Rot. Bonds5

About N-[oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine

N-[oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine (PubChem CID 105147646) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
PubChem CID105147646
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC NameN-[oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNC(C1CCOC1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H26F3NO/c1-2-8-19-14(11-7-9-20-10-11)12-5-3-4-6-13(12)15(16,17)18/h11-14,19H,2-10H2,1H3
InChIKeySKWIKXDUFGBLNT-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-Difluoro-4-[1-(oxan-3-yl)propan-2-yl]pyrrolidine
CID 156072219
3,3-Difluoro-4-[5-(oxan-3-yl)hexan-2-yl]pyrrolidine
CID 170414141
N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962222
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962223
N-methyl-1-(4-methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55093564
N-methyl-1-(3-methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55094199
1-cyclopentyl-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 55094981
1-cyclohexyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095357
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-2-amine
CID 55106739
N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61490333
N,4-dipropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61748332
4-methyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61748513

Frequently Asked Questions

What is the IUPAC name of N-[oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine (CID 105147646) is N-[oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine is CCCNC(C1CCOC1)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-[oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
The InChIKey is SKWIKXDUFGBLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c1-2-8-19-14(11-7-9-20-10-11)12-5-3-4-6-13(12)15(16,17)18/h11-14,19H,2-10H2,1H3.
What are the key properties of N-[oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
N-[oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine has a molecular weight of 293.37 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 105147646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).