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

C16H31F3N2 — CID 63494955

IUPAC4-tert-butyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
SMILESCCCN(CC1CC(C(C)(C)C)CCC1N)CC(F)(F)F
InChIInChI=1S/C16H31F3N2/c1-5-8-21(11-16(17,18)19)10-12-9-13(15(2,3)4)6-7-14(12)20/h12-14H,5-11,20H2,1-4H3
InChIKeyDHLWGVSWRPYMKO-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.05
Rot. Bonds5

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

4-tert-butyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine (PubChem CID 63494955) has the molecular formula C16H31F3N2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 4-tert-butyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
PubChem CID63494955
Molecular FormulaC16H31F3N2
Molecular Weight308.43 g/mol
Exact Mass308.24
IUPAC Name4-tert-butyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
SMILESCCCN(CC1CC(C(C)(C)C)CCC1N)CC(F)(F)F
InChIInChI=1S/C16H31F3N2/c1-5-8-21(11-16(17,18)19)10-12-9-13(15(2,3)4)6-7-14(12)20/h12-14H,5-11,20H2,1-4H3
InChIKeyDHLWGVSWRPYMKO-UHFFFAOYSA-N
XLogP4.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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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Related Compounds

4-tert-butyl-2-[[cyclopentyl(methyl)amino]methyl]cyclohexan-1-amine
CID 55094183
4-tert-butyl-2-[[ethyl(propyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63483435
4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]cyclohexan-1-amine
CID 63483790
N-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-amine
CID 62610305
2-[(2-amino-5-tert-butylcyclohexyl)methyl-cyclobutylamino]ethanol
CID 102870921
4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
CID 66236322
N-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
CID 66258382
2-[(4-aminooxan-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486880
2-[(2-amino-5-tert-butylcyclohexyl)methyl-methylamino]cyclohexan-1-ol
CID 102637096
2-cyclopropyl-1-N-(cyclopropylmethyl)-1-N-propylpropane-1,2-diamine
CID 61443395
2-cyclopropyl-1-N,1-N-dipropylpropane-1,2-diamine
CID 60867915
4-tert-butyl-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
CID 107486452

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine (CID 63494955) is 4-tert-butyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine is CCCN(CC1CC(C(C)(C)C)CCC1N)CC(F)(F)F.
What is the InChIKey of 4-tert-butyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
The InChIKey is DHLWGVSWRPYMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F3N2/c1-5-8-21(11-16(17,18)19)10-12-9-13(15(2,3)4)6-7-14(12)20/h12-14H,5-11,20H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
4-tert-butyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine has a molecular weight of 308.43 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 63494955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).