2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,1,1-trifluoro-2-N-methylbutane-2,3-diamine

C12H24F3N3 — CID 105413478

IUPAC2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,1,1-trifluoro-2-N-methylbutane-2,3-diamine
SMILESCC(N)C(N(C)CC1(N(C)C)CCC1)C(F)(F)F
InChIInChI=1S/C12H24F3N3/c1-9(16)10(12(13,14)15)18(4)8-11(17(2)3)6-5-7-11/h9-10H,5-8,16H2,1-4H3
InChIKeyAOUVTRPYLPYOCR-UHFFFAOYSA-N
MW267.34 g/mol
LogP1.68
Rot. Bonds5

About 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,1,1-trifluoro-2-N-methylbutane-2,3-diamine

2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,1,1-trifluoro-2-N-methylbutane-2,3-diamine (PubChem CID 105413478) has the molecular formula C12H24F3N3 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,1,1-trifluoro-2-N-methylbutane-2,3-diamine.

Molecular Properties

Compound Name2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,1,1-trifluoro-2-N-methylbutane-2,3-diamine
PubChem CID105413478
Molecular FormulaC12H24F3N3
Molecular Weight267.34 g/mol
Exact Mass267.19
IUPAC Name2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,1,1-trifluoro-2-N-methylbutane-2,3-diamine
SMILESCC(N)C(N(C)CC1(N(C)C)CCC1)C(F)(F)F
InChIInChI=1S/C12H24F3N3/c1-9(16)10(12(13,14)15)18(4)8-11(17(2)3)6-5-7-11/h9-10H,5-8,16H2,1-4H3
InChIKeyAOUVTRPYLPYOCR-UHFFFAOYSA-N
XLogP1.68
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,1,1-trifluoro-2-N-methylbutane-2,3-diamine?
The IUPAC name of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,1,1-trifluoro-2-N-methylbutane-2,3-diamine (CID 105413478) is 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,1,1-trifluoro-2-N-methylbutane-2,3-diamine.
What is the SMILES notation for 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,1,1-trifluoro-2-N-methylbutane-2,3-diamine?
The canonical SMILES for 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,1,1-trifluoro-2-N-methylbutane-2,3-diamine is CC(N)C(N(C)CC1(N(C)C)CCC1)C(F)(F)F.
What is the InChIKey of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,1,1-trifluoro-2-N-methylbutane-2,3-diamine?
The InChIKey is AOUVTRPYLPYOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N3/c1-9(16)10(12(13,14)15)18(4)8-11(17(2)3)6-5-7-11/h9-10H,5-8,16H2,1-4H3.
What are the key properties of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,1,1-trifluoro-2-N-methylbutane-2,3-diamine?
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,1,1-trifluoro-2-N-methylbutane-2,3-diamine has a molecular weight of 267.34 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,1,1-trifluoro-2-N-methylbutane-2,3-diamine is sourced from PubChem (CID 105413478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).