2,2-dimethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclopentan-1-amine

C16H31F3N2 — CID 79866094

IUPAC2,2-dimethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1C(CN(CC(F)(F)F)C(C)C)CCC1(C)C
InChIInChI=1S/C16H31F3N2/c1-6-9-20-14-13(7-8-15(14,4)5)10-21(12(2)3)11-16(17,18)19/h12-14,20H,6-11H2,1-5H3
InChIKeyKNCXIQUJXQMMTR-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.06
Rot. Bonds7

About 2,2-dimethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclopentan-1-amine

2,2-dimethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclopentan-1-amine (PubChem CID 79866094) has the molecular formula C16H31F3N2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2,2-dimethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclopentan-1-amine
PubChem CID79866094
Molecular FormulaC16H31F3N2
Molecular Weight308.43 g/mol
Exact Mass308.24
IUPAC Name2,2-dimethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1C(CN(CC(F)(F)F)C(C)C)CCC1(C)C
InChIInChI=1S/C16H31F3N2/c1-6-9-20-14-13(7-8-15(14,4)5)10-21(12(2)3)11-16(17,18)19/h12-14,20H,6-11H2,1-5H3
InChIKeyKNCXIQUJXQMMTR-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 2,2-dimethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclopentan-1-amine (CID 79866094) is 2,2-dimethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclopentan-1-amine is CCCNC1C(CN(CC(F)(F)F)C(C)C)CCC1(C)C.
What is the InChIKey of 2,2-dimethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclopentan-1-amine?
The InChIKey is KNCXIQUJXQMMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F3N2/c1-6-9-20-14-13(7-8-15(14,4)5)10-21(12(2)3)11-16(17,18)19/h12-14,20H,6-11H2,1-5H3.
What are the key properties of 2,2-dimethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclopentan-1-amine?
2,2-dimethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclopentan-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 2,2-dimethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79866094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).