N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)azetidin-3-amine

C10H19F3N2 — CID 70646100

IUPACN-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)azetidin-3-amine
SMILESCC(C)(C)CC(NC1CNC1)C(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-9(2,3)4-8(10(11,12)13)15-7-5-14-6-7/h7-8,14-15H,4-6H2,1-3H3
InChIKeyGTBHVRJZPROZGX-UHFFFAOYSA-N
MW224.27 g/mol
LogP1.91
Rot. Bonds3

About N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)azetidin-3-amine

N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)azetidin-3-amine (PubChem CID 70646100) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)azetidin-3-amine.

Molecular Properties

Compound NameN-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)azetidin-3-amine
PubChem CID70646100
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC NameN-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)azetidin-3-amine
SMILESCC(C)(C)CC(NC1CNC1)C(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-9(2,3)4-8(10(11,12)13)15-7-5-14-6-7/h7-8,14-15H,4-6H2,1-3H3
InChIKeyGTBHVRJZPROZGX-UHFFFAOYSA-N
XLogP1.91
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)azetidin-3-amine?
The IUPAC name of N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)azetidin-3-amine (CID 70646100) is N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)azetidin-3-amine.
What is the SMILES notation for N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)azetidin-3-amine?
The canonical SMILES for N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)azetidin-3-amine is CC(C)(C)CC(NC1CNC1)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)azetidin-3-amine?
The InChIKey is GTBHVRJZPROZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-9(2,3)4-8(10(11,12)13)15-7-5-14-6-7/h7-8,14-15H,4-6H2,1-3H3.
What are the key properties of N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)azetidin-3-amine?
N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)azetidin-3-amine has a molecular weight of 224.27 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)azetidin-3-amine is sourced from PubChem (CID 70646100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).