N-[[1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine

C16H27F3N2 — CID 62255875

IUPACN-[[1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
SMILESFC(F)(F)CN(CC1(CNC2CC2)CCCCC1)C1CC1
InChIInChI=1S/C16H27F3N2/c17-16(18,19)12-21(14-6-7-14)11-15(8-2-1-3-9-15)10-20-13-4-5-13/h13-14,20H,1-12H2
InChIKeyZYBOCTNFRKPSPD-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.72
Rot. Bonds7

About N-[[1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine

N-[[1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine (PubChem CID 62255875) has the molecular formula C16H27F3N2 and a molecular weight of 304.40 g/mol. Its IUPAC name is N-[[1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
PubChem CID62255875
Molecular FormulaC16H27F3N2
Molecular Weight304.40 g/mol
Exact Mass304.21
IUPAC NameN-[[1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
SMILESFC(F)(F)CN(CC1(CNC2CC2)CCCCC1)C1CC1
InChIInChI=1S/C16H27F3N2/c17-16(18,19)12-21(14-6-7-14)11-15(8-2-1-3-9-15)10-20-13-4-5-13/h13-14,20H,1-12H2
InChIKeyZYBOCTNFRKPSPD-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine (CID 62255875) is N-[[1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine is FC(F)(F)CN(CC1(CNC2CC2)CCCCC1)C1CC1.
What is the InChIKey of N-[[1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine?
The InChIKey is ZYBOCTNFRKPSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3N2/c17-16(18,19)12-21(14-6-7-14)11-15(8-2-1-3-9-15)10-20-13-4-5-13/h13-14,20H,1-12H2.
What are the key properties of N-[[1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine?
N-[[1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine has a molecular weight of 304.40 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 62255875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).