3-[3-(trifluoromethyl)cyclohexyl]-3,9-diazabicyclo[4.2.1]nonane

C14H23F3N2 — CID 115313722

IUPAC3-[3-(trifluoromethyl)cyclohexyl]-3,9-diazabicyclo[4.2.1]nonane
SMILESFC(F)(F)C1CCCC(N2CCC3CCC(C2)N3)C1
InChIInChI=1S/C14H23F3N2/c15-14(16,17)10-2-1-3-13(8-10)19-7-6-11-4-5-12(9-19)18-11/h10-13,18H,1-9H2
InChIKeyJYNFQQIXGRXCIZ-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.93
Rot. Bonds1

About 3-[3-(trifluoromethyl)cyclohexyl]-3,9-diazabicyclo[4.2.1]nonane

3-[3-(trifluoromethyl)cyclohexyl]-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 115313722) has the molecular formula C14H23F3N2 and a molecular weight of 276.35 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)cyclohexyl]-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)cyclohexyl]-3,9-diazabicyclo[4.2.1]nonane
PubChem CID115313722
Molecular FormulaC14H23F3N2
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name3-[3-(trifluoromethyl)cyclohexyl]-3,9-diazabicyclo[4.2.1]nonane
SMILESFC(F)(F)C1CCCC(N2CCC3CCC(C2)N3)C1
InChIInChI=1S/C14H23F3N2/c15-14(16,17)10-2-1-3-13(8-10)19-7-6-11-4-5-12(9-19)18-11/h10-13,18H,1-9H2
InChIKeyJYNFQQIXGRXCIZ-UHFFFAOYSA-N
XLogP2.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine
CID 55141585
1-propan-2-yl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine
CID 61978921
1-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine
CID 62976918
N-[4-(trifluoromethyl)cyclohexyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 64755272
1-[4-(Trifluoromethyl)cyclohexyl]-1,4-diazepane
CID 64756120
N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64756965
N-[3-(trifluoromethyl)cyclohexyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 64757189
N-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757364
N-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine
CID 64757825
N-ethyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine
CID 64758028
N-propyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine
CID 64758029
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758375

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)cyclohexyl]-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 3-[3-(trifluoromethyl)cyclohexyl]-3,9-diazabicyclo[4.2.1]nonane (CID 115313722) is 3-[3-(trifluoromethyl)cyclohexyl]-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 3-[3-(trifluoromethyl)cyclohexyl]-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 3-[3-(trifluoromethyl)cyclohexyl]-3,9-diazabicyclo[4.2.1]nonane is FC(F)(F)C1CCCC(N2CCC3CCC(C2)N3)C1.
What is the InChIKey of 3-[3-(trifluoromethyl)cyclohexyl]-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is JYNFQQIXGRXCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2/c15-14(16,17)10-2-1-3-13(8-10)19-7-6-11-4-5-12(9-19)18-11/h10-13,18H,1-9H2.
What are the key properties of 3-[3-(trifluoromethyl)cyclohexyl]-3,9-diazabicyclo[4.2.1]nonane?
3-[3-(trifluoromethyl)cyclohexyl]-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 276.35 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)cyclohexyl]-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 115313722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).