2-N-methyl-1-N-(oxolan-2-ylmethyl)-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

C11H21F3N2O — CID 55087799

IUPAC2-N-methyl-1-N-(oxolan-2-ylmethyl)-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCC(CNCC1CCCO1)N(C)CC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-9(16(2)8-11(12,13)14)6-15-7-10-4-3-5-17-10/h9-10,15H,3-8H2,1-2H3
InChIKeyQOUDWEMQHNRWBV-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.64
Rot. Bonds6

About 2-N-methyl-1-N-(oxolan-2-ylmethyl)-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

2-N-methyl-1-N-(oxolan-2-ylmethyl)-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (PubChem CID 55087799) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-N-methyl-1-N-(oxolan-2-ylmethyl)-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-1-N-(oxolan-2-ylmethyl)-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
PubChem CID55087799
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name2-N-methyl-1-N-(oxolan-2-ylmethyl)-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCC(CNCC1CCCO1)N(C)CC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-9(16(2)8-11(12,13)14)6-15-7-10-4-3-5-17-10/h9-10,15H,3-8H2,1-2H3
InChIKeyQOUDWEMQHNRWBV-UHFFFAOYSA-N
XLogP1.64
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-1-N-(oxolan-2-ylmethyl)-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The IUPAC name of 2-N-methyl-1-N-(oxolan-2-ylmethyl)-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (CID 55087799) is 2-N-methyl-1-N-(oxolan-2-ylmethyl)-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-1-N-(oxolan-2-ylmethyl)-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-methyl-1-N-(oxolan-2-ylmethyl)-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is CC(CNCC1CCCO1)N(C)CC(F)(F)F.
What is the InChIKey of 2-N-methyl-1-N-(oxolan-2-ylmethyl)-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The InChIKey is QOUDWEMQHNRWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-9(16(2)8-11(12,13)14)6-15-7-10-4-3-5-17-10/h9-10,15H,3-8H2,1-2H3.
What are the key properties of 2-N-methyl-1-N-(oxolan-2-ylmethyl)-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
2-N-methyl-1-N-(oxolan-2-ylmethyl)-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine has a molecular weight of 254.30 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-1-N-(oxolan-2-ylmethyl)-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is sourced from PubChem (CID 55087799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).