N,4-diethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine

C16H31F3N2 — CID 62609258

IUPACN,4-diethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1CN(CC(F)(F)F)C(C)C
InChIInChI=1S/C16H31F3N2/c1-5-13-7-8-15(20-6-2)14(9-13)10-21(12(3)4)11-16(17,18)19/h12-15,20H,5-11H2,1-4H3
InChIKeyAIVLLBIYHWTGFW-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.06
Rot. Bonds7

About N,4-diethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine

N,4-diethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine (PubChem CID 62609258) has the molecular formula C16H31F3N2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N,4-diethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,4-diethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
PubChem CID62609258
Molecular FormulaC16H31F3N2
Molecular Weight308.43 g/mol
Exact Mass308.24
IUPAC NameN,4-diethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1CN(CC(F)(F)F)C(C)C
InChIInChI=1S/C16H31F3N2/c1-5-13-7-8-15(20-6-2)14(9-13)10-21(12(3)4)11-16(17,18)19/h12-15,20H,5-11H2,1-4H3
InChIKeyAIVLLBIYHWTGFW-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of N,4-diethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine (CID 62609258) is N,4-diethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for N,4-diethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for N,4-diethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine is CCNC1CCC(CC)CC1CN(CC(F)(F)F)C(C)C.
What is the InChIKey of N,4-diethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
The InChIKey is AIVLLBIYHWTGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F3N2/c1-5-13-7-8-15(20-6-2)14(9-13)10-21(12(3)4)11-16(17,18)19/h12-15,20H,5-11H2,1-4H3.
What are the key properties of N,4-diethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
N,4-diethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine has a molecular weight of 308.43 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 62609258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).