2-N-methyl-2-N-(oxan-3-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

C12H23F3N2O — CID 63705999

IUPAC2-N-methyl-2-N-(oxan-3-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCC(CNCC(F)(F)F)N(C)CC1CCCOC1
InChIInChI=1S/C12H23F3N2O/c1-10(6-16-9-12(13,14)15)17(2)7-11-4-3-5-18-8-11/h10-11,16H,3-9H2,1-2H3
InChIKeyLDJIPFCIKRXUEQ-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.89
Rot. Bonds6

About 2-N-methyl-2-N-(oxan-3-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

2-N-methyl-2-N-(oxan-3-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (PubChem CID 63705999) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-N-methyl-2-N-(oxan-3-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(oxan-3-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
PubChem CID63705999
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name2-N-methyl-2-N-(oxan-3-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCC(CNCC(F)(F)F)N(C)CC1CCCOC1
InChIInChI=1S/C12H23F3N2O/c1-10(6-16-9-12(13,14)15)17(2)7-11-4-3-5-18-8-11/h10-11,16H,3-9H2,1-2H3
InChIKeyLDJIPFCIKRXUEQ-UHFFFAOYSA-N
XLogP1.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-methyl-1-N-(2-methylpropyl)-3-N-(oxan-3-ylmethyl)butane-1,3-diamine
CID 63708130
2-N-methyl-2-N-(oxolan-3-yl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 82753840
4-N-methyl-4-N-(oxan-3-ylmethyl)-1-N-propylpentane-1,4-diamine
CID 55225870
2-N-ethyl-3-N-methyl-3-N-(oxan-3-ylmethyl)butane-2,3-diamine
CID 63727178
methyl 3-[methyl(oxan-3-ylmethyl)amino]butanoate
CID 63713446
2-N-methyl-2-N-(oxan-3-ylmethyl)butane-1,2-diamine
CID 63725583
3-[methyl(oxan-3-ylmethyl)amino]butanehydrazide
CID 63706863
2-N,3,3-trimethyl-2-N-(oxan-3-ylmethyl)butane-1,2-diamine
CID 63725899
2-N,4,4-trimethyl-2-N-(oxan-3-ylmethyl)pentane-1,2-diamine
CID 63725413
N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227
3-[methyl(oxan-3-ylmethyl)amino]butanimidamide
CID 63712398
2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 63655708

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(oxan-3-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(oxan-3-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (CID 63705999) is 2-N-methyl-2-N-(oxan-3-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(oxan-3-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(oxan-3-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is CC(CNCC(F)(F)F)N(C)CC1CCCOC1.
What is the InChIKey of 2-N-methyl-2-N-(oxan-3-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The InChIKey is LDJIPFCIKRXUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-10(6-16-9-12(13,14)15)17(2)7-11-4-3-5-18-8-11/h10-11,16H,3-9H2,1-2H3.
What are the key properties of 2-N-methyl-2-N-(oxan-3-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
2-N-methyl-2-N-(oxan-3-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine has a molecular weight of 268.32 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(oxan-3-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is sourced from PubChem (CID 63705999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).