1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclobutan-1-amine

C9H17F3N2 — CID 81169942

IUPAC1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclobutan-1-amine
SMILESCN(CCC(F)(F)F)CC1(N)CCC1
InChIInChI=1S/C9H17F3N2/c1-14(6-5-9(10,11)12)7-8(13)3-2-4-8/h2-7,13H2,1H3
InChIKeyGQVNDFDGIYHSJY-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.75
Rot. Bonds4

About 1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclobutan-1-amine

1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclobutan-1-amine (PubChem CID 81169942) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclobutan-1-amine
PubChem CID81169942
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC Name1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclobutan-1-amine
SMILESCN(CCC(F)(F)F)CC1(N)CCC1
InChIInChI=1S/C9H17F3N2/c1-14(6-5-9(10,11)12)7-8(13)3-2-4-8/h2-7,13H2,1H3
InChIKeyGQVNDFDGIYHSJY-UHFFFAOYSA-N
XLogP1.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclobutan-1-amine?
The IUPAC name of 1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclobutan-1-amine (CID 81169942) is 1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclobutan-1-amine?
The canonical SMILES for 1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclobutan-1-amine is CN(CCC(F)(F)F)CC1(N)CCC1.
What is the InChIKey of 1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclobutan-1-amine?
The InChIKey is GQVNDFDGIYHSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-14(6-5-9(10,11)12)7-8(13)3-2-4-8/h2-7,13H2,1H3.
What are the key properties of 1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclobutan-1-amine?
1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclobutan-1-amine has a molecular weight of 210.24 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 81169942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).