2-(1,2-dimethylcyclobutyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;propane

C14H28F3N — CID 164879256

IUPAC2-(1,2-dimethylcyclobutyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;propane
SMILESCC1CCC1(C)C(C)CNCC(F)(F)F.CCC
InChIInChI=1S/C11H20F3N.C3H8/c1-8-4-5-10(8,3)9(2)6-15-7-11(12,13)14;1-3-2/h8-9,15H,4-7H2,1-3H3;3H2,1-2H3
InChIKeyQTDRHBDKKMAAID-UHFFFAOYSA-N
MW267.38 g/mol
LogP4.63
Rot. Bonds4

About 2-(1,2-dimethylcyclobutyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;propane

2-(1,2-dimethylcyclobutyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;propane (PubChem CID 164879256) has the molecular formula C14H28F3N and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-(1,2-dimethylcyclobutyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;propane.

Molecular Properties

Compound Name2-(1,2-dimethylcyclobutyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;propane
PubChem CID164879256
Molecular FormulaC14H28F3N
Molecular Weight267.38 g/mol
Exact Mass267.22
IUPAC Name2-(1,2-dimethylcyclobutyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;propane
SMILESCC1CCC1(C)C(C)CNCC(F)(F)F.CCC
InChIInChI=1S/C11H20F3N.C3H8/c1-8-4-5-10(8,3)9(2)6-15-7-11(12,13)14;1-3-2/h8-9,15H,4-7H2,1-3H3;3H2,1-2H3
InChIKeyQTDRHBDKKMAAID-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylcyclobutyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;propane?
The IUPAC name of 2-(1,2-dimethylcyclobutyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;propane (CID 164879256) is 2-(1,2-dimethylcyclobutyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;propane.
What is the SMILES notation for 2-(1,2-dimethylcyclobutyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;propane?
The canonical SMILES for 2-(1,2-dimethylcyclobutyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;propane is CC1CCC1(C)C(C)CNCC(F)(F)F.CCC.
What is the InChIKey of 2-(1,2-dimethylcyclobutyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;propane?
The InChIKey is QTDRHBDKKMAAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N.C3H8/c1-8-4-5-10(8,3)9(2)6-15-7-11(12,13)14;1-3-2/h8-9,15H,4-7H2,1-3H3;3H2,1-2H3.
What are the key properties of 2-(1,2-dimethylcyclobutyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;propane?
2-(1,2-dimethylcyclobutyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;propane has a molecular weight of 267.38 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylcyclobutyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;propane is sourced from PubChem (CID 164879256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).