N,N-dimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclobutan-1-amine

C12H23F3N2O — CID 105416442

IUPACN,N-dimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclobutan-1-amine
SMILESCN(C)C1(CNCCCOCC(F)(F)F)CCC1
InChIInChI=1S/C12H23F3N2O/c1-17(2)11(5-3-6-11)9-16-7-4-8-18-10-12(13,14)15/h16H,3-10H2,1-2H3
InChIKeyQAWWNEABDCNEHC-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.03
Rot. Bonds8

About N,N-dimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclobutan-1-amine

N,N-dimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclobutan-1-amine (PubChem CID 105416442) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is N,N-dimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclobutan-1-amine
PubChem CID105416442
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC NameN,N-dimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclobutan-1-amine
SMILESCN(C)C1(CNCCCOCC(F)(F)F)CCC1
InChIInChI=1S/C12H23F3N2O/c1-17(2)11(5-3-6-11)9-16-7-4-8-18-10-12(13,14)15/h16H,3-10H2,1-2H3
InChIKeyQAWWNEABDCNEHC-UHFFFAOYSA-N
XLogP2.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclobutan-1-amine?
The IUPAC name of N,N-dimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclobutan-1-amine (CID 105416442) is N,N-dimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclobutan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclobutan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclobutan-1-amine is CN(C)C1(CNCCCOCC(F)(F)F)CCC1.
What is the InChIKey of N,N-dimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclobutan-1-amine?
The InChIKey is QAWWNEABDCNEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-17(2)11(5-3-6-11)9-16-7-4-8-18-10-12(13,14)15/h16H,3-10H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclobutan-1-amine?
N,N-dimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclobutan-1-amine has a molecular weight of 268.32 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 105416442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).