1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclohexan-1-amine

C13H25F3N2 — CID 64682252

IUPAC1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclohexan-1-amine
SMILESCC(C)N(CCC1(N)CCCCC1)CC(F)(F)F
InChIInChI=1S/C13H25F3N2/c1-11(2)18(10-13(14,15)16)9-8-12(17)6-4-3-5-7-12/h11H,3-10,17H2,1-2H3
InChIKeyMEZWTPFFDOGQPF-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.31
Rot. Bonds5

About 1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclohexan-1-amine

1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclohexan-1-amine (PubChem CID 64682252) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclohexan-1-amine
PubChem CID64682252
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC Name1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclohexan-1-amine
SMILESCC(C)N(CCC1(N)CCCCC1)CC(F)(F)F
InChIInChI=1S/C13H25F3N2/c1-11(2)18(10-13(14,15)16)9-8-12(17)6-4-3-5-7-12/h11H,3-10,17H2,1-2H3
InChIKeyMEZWTPFFDOGQPF-UHFFFAOYSA-N
XLogP3.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclohexan-1-amine?
The IUPAC name of 1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclohexan-1-amine (CID 64682252) is 1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclohexan-1-amine is CC(C)N(CCC1(N)CCCCC1)CC(F)(F)F.
What is the InChIKey of 1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclohexan-1-amine?
The InChIKey is MEZWTPFFDOGQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-11(2)18(10-13(14,15)16)9-8-12(17)6-4-3-5-7-12/h11H,3-10,17H2,1-2H3.
What are the key properties of 1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclohexan-1-amine?
1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclohexan-1-amine has a molecular weight of 266.35 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclohexan-1-amine is sourced from PubChem (CID 64682252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).