N,3,5-trimethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine

C15H29F3N2 — CID 64737019

IUPACN,3,5-trimethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1CN(CC(F)(F)F)C(C)C
InChIInChI=1S/C15H29F3N2/c1-10(2)20(9-15(16,17)18)8-13-12(4)6-11(3)7-14(13)19-5/h10-14,19H,6-9H2,1-5H3
InChIKeySVKBRECHQZASOC-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.53
Rot. Bonds5

About N,3,5-trimethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine

N,3,5-trimethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine (PubChem CID 64737019) has the molecular formula C15H29F3N2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N,3,5-trimethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,3,5-trimethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
PubChem CID64737019
Molecular FormulaC15H29F3N2
Molecular Weight294.40 g/mol
Exact Mass294.23
IUPAC NameN,3,5-trimethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1CN(CC(F)(F)F)C(C)C
InChIInChI=1S/C15H29F3N2/c1-10(2)20(9-15(16,17)18)8-13-12(4)6-11(3)7-14(13)19-5/h10-14,19H,6-9H2,1-5H3
InChIKeySVKBRECHQZASOC-UHFFFAOYSA-N
XLogP3.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of N,3,5-trimethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine (CID 64737019) is N,3,5-trimethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for N,3,5-trimethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for N,3,5-trimethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine is CNC1CC(C)CC(C)C1CN(CC(F)(F)F)C(C)C.
What is the InChIKey of N,3,5-trimethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
The InChIKey is SVKBRECHQZASOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2/c1-10(2)20(9-15(16,17)18)8-13-12(4)6-11(3)7-14(13)19-5/h10-14,19H,6-9H2,1-5H3.
What are the key properties of N,3,5-trimethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
N,3,5-trimethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine has a molecular weight of 294.40 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 64737019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).