2-[(tert-butylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine

C14H27F3N2 — CID 80999034

IUPAC2-[(tert-butylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
SMILESCC(C)N(CC(F)(F)F)C1CCC1CNC(C)(C)C
InChIInChI=1S/C14H27F3N2/c1-10(2)19(9-14(15,16)17)12-7-6-11(12)8-18-13(3,4)5/h10-12,18H,6-9H2,1-5H3
InChIKeyVIPOHFJUFREZTD-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.43
Rot. Bonds5

About 2-[(tert-butylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine

2-[(tert-butylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine (PubChem CID 80999034) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-[(tert-butylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name2-[(tert-butylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
PubChem CID80999034
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC Name2-[(tert-butylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
SMILESCC(C)N(CC(F)(F)F)C1CCC1CNC(C)(C)C
InChIInChI=1S/C14H27F3N2/c1-10(2)19(9-14(15,16)17)12-7-6-11(12)8-18-13(3,4)5/h10-12,18H,6-9H2,1-5H3
InChIKeyVIPOHFJUFREZTD-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(tert-butylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
The IUPAC name of 2-[(tert-butylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine (CID 80999034) is 2-[(tert-butylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine.
What is the SMILES notation for 2-[(tert-butylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
The canonical SMILES for 2-[(tert-butylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine is CC(C)N(CC(F)(F)F)C1CCC1CNC(C)(C)C.
What is the InChIKey of 2-[(tert-butylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
The InChIKey is VIPOHFJUFREZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2/c1-10(2)19(9-14(15,16)17)12-7-6-11(12)8-18-13(3,4)5/h10-12,18H,6-9H2,1-5H3.
What are the key properties of 2-[(tert-butylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
2-[(tert-butylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine has a molecular weight of 280.38 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(tert-butylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine is sourced from PubChem (CID 80999034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).