2-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine

C13H25F3N2 — CID 81005322

IUPAC2-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine
SMILESCN(CCC(F)(F)F)C1CCC1CNC(C)(C)C
InChIInChI=1S/C13H25F3N2/c1-12(2,3)17-9-10-5-6-11(10)18(4)8-7-13(14,15)16/h10-11,17H,5-9H2,1-4H3
InChIKeyONNUNPBEEVLIGC-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.04
Rot. Bonds5

About 2-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine

2-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine (PubChem CID 81005322) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name2-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine
PubChem CID81005322
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC Name2-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine
SMILESCN(CCC(F)(F)F)C1CCC1CNC(C)(C)C
InChIInChI=1S/C13H25F3N2/c1-12(2,3)17-9-10-5-6-11(10)18(4)8-7-13(14,15)16/h10-11,17H,5-9H2,1-4H3
InChIKeyONNUNPBEEVLIGC-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 80561869
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CID 67812709
CID 83685671
CID 83685671
CID 88589055
CID 88589055
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-methyl-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine?
The IUPAC name of 2-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine (CID 81005322) is 2-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine.
What is the SMILES notation for 2-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine?
The canonical SMILES for 2-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine is CN(CCC(F)(F)F)C1CCC1CNC(C)(C)C.
What is the InChIKey of 2-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine?
The InChIKey is ONNUNPBEEVLIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-12(2,3)17-9-10-5-6-11(10)18(4)8-7-13(14,15)16/h10-11,17H,5-9H2,1-4H3.
What are the key properties of 2-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine?
2-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine has a molecular weight of 266.35 g/mol, XLogP of 3.04, 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-methyl-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine is sourced from PubChem (CID 81005322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).