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

C16H31F3N2 — CID 62609436

IUPAC4-tert-butyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
SMILESCC(C)N(CC1CC(C(C)(C)C)CCC1N)CC(F)(F)F
InChIInChI=1S/C16H31F3N2/c1-11(2)21(10-16(17,18)19)9-12-8-13(15(3,4)5)6-7-14(12)20/h11-14H,6-10,20H2,1-5H3
InChIKeyXGDOJVSKWGGLRI-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.05
Rot. Bonds4

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

4-tert-butyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine (PubChem CID 62609436) has the molecular formula C16H31F3N2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 4-tert-butyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
PubChem CID62609436
Molecular FormulaC16H31F3N2
Molecular Weight308.43 g/mol
Exact Mass308.24
IUPAC Name4-tert-butyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
SMILESCC(C)N(CC1CC(C(C)(C)C)CCC1N)CC(F)(F)F
InChIInChI=1S/C16H31F3N2/c1-11(2)21(10-16(17,18)19)9-12-8-13(15(3,4)5)6-7-14(12)20/h11-14H,6-10,20H2,1-5H3
InChIKeyXGDOJVSKWGGLRI-UHFFFAOYSA-N
XLogP4.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine (CID 62609436) is 4-tert-butyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine is CC(C)N(CC1CC(C(C)(C)C)CCC1N)CC(F)(F)F.
What is the InChIKey of 4-tert-butyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
The InChIKey is XGDOJVSKWGGLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F3N2/c1-11(2)21(10-16(17,18)19)9-12-8-13(15(3,4)5)6-7-14(12)20/h11-14H,6-10,20H2,1-5H3.
What are the key properties of 4-tert-butyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
4-tert-butyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine has a molecular weight of 308.43 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 62609436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).