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

C14H27F3N2 — CID 80997966

IUPAC2-[(tert-butylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
SMILESCCCN(CC(F)(F)F)C1CCC1CNC(C)(C)C
InChIInChI=1S/C14H27F3N2/c1-5-8-19(10-14(15,16)17)12-7-6-11(12)9-18-13(2,3)4/h11-12,18H,5-10H2,1-4H3
InChIKeyLSPVLGHCWSZJMF-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.43
Rot. Bonds6

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

2-[(tert-butylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine (PubChem CID 80997966) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-[(tert-butylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name2-[(tert-butylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
PubChem CID80997966
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC Name2-[(tert-butylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
SMILESCCCN(CC(F)(F)F)C1CCC1CNC(C)(C)C
InChIInChI=1S/C14H27F3N2/c1-5-8-19(10-14(15,16)17)12-7-6-11(12)9-18-13(2,3)4/h11-12,18H,5-10H2,1-4H3
InChIKeyLSPVLGHCWSZJMF-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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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Related Compounds

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CID 88589055
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CID 121208180
CID 121208180
CID 121358939
CID 121358939
CID 126995909
CID 126995909
CID 131112753
CID 131112753
CID 131203341
CID 131203341
CID 131966975
CID 131966975
CID 138569286
CID 138569286

Frequently Asked Questions

What is the IUPAC name of 2-[(tert-butylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
The IUPAC name of 2-[(tert-butylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine (CID 80997966) is 2-[(tert-butylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine.
What is the SMILES notation for 2-[(tert-butylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
The canonical SMILES for 2-[(tert-butylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine is CCCN(CC(F)(F)F)C1CCC1CNC(C)(C)C.
What is the InChIKey of 2-[(tert-butylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
The InChIKey is LSPVLGHCWSZJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2/c1-5-8-19(10-14(15,16)17)12-7-6-11(12)9-18-13(2,3)4/h11-12,18H,5-10H2,1-4H3.
What are the key properties of 2-[(tert-butylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
2-[(tert-butylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine has a molecular weight of 280.38 g/mol, XLogP of 3.43, 6 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-propyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine is sourced from PubChem (CID 80997966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).