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

C11H21F3N2O — CID 103366210

IUPACN'-methyl-N'-(oxan-2-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine
SMILESCN(CC1CCCCO1)CC(CN)C(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-16(7-9(6-15)11(12,13)14)8-10-4-2-3-5-17-10/h9-10H,2-8,15H2,1H3
InChIKeyLZBCFRXSPLYHGP-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.62
Rot. Bonds5

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

N'-methyl-N'-(oxan-2-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine (PubChem CID 103366210) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is N'-methyl-N'-(oxan-2-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(oxan-2-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine
PubChem CID103366210
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC NameN'-methyl-N'-(oxan-2-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine
SMILESCN(CC1CCCCO1)CC(CN)C(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-16(7-9(6-15)11(12,13)14)8-10-4-2-3-5-17-10/h9-10H,2-8,15H2,1H3
InChIKeyLZBCFRXSPLYHGP-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-(oxan-2-ylmethyl)ethanamine
CID 43403679
N-(oxan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 55014561
N'-methyl-N'-(oxan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55089574
3,3,3-trifluoro-2-N-methyl-2-N-(oxan-2-ylmethyl)propane-1,2-diamine
CID 61431066
4,4,4-trifluoro-3-N-methyl-3-N-(oxan-2-ylmethyl)butane-1,3-diamine
CID 61431745
2,2-difluoro-N-(oxan-2-ylmethyl)ethanamine
CID 61609319
N-(oxan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61609441
1,1,1-trifluoro-2-N-methyl-2-N-(oxan-2-ylmethyl)butane-2,3-diamine
CID 61648145
1,1,1-trifluoro-2-N-methyl-2-N-(oxan-2-ylmethyl)pentane-2,3-diamine
CID 61648196
2-N-methyl-2-N-(oxan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62570512
3,3,3-trifluoro-N-(oxan-2-ylmethyl)propan-1-amine
CID 63226004
N-(2-cyclohexyloxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63828885

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(oxan-2-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-(oxan-2-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine (CID 103366210) is N'-methyl-N'-(oxan-2-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-(oxan-2-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-(oxan-2-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine is CN(CC1CCCCO1)CC(CN)C(F)(F)F.
What is the InChIKey of N'-methyl-N'-(oxan-2-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine?
The InChIKey is LZBCFRXSPLYHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-16(7-9(6-15)11(12,13)14)8-10-4-2-3-5-17-10/h9-10H,2-8,15H2,1H3.
What are the key properties of N'-methyl-N'-(oxan-2-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine?
N'-methyl-N'-(oxan-2-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine has a molecular weight of 254.30 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(oxan-2-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine is sourced from PubChem (CID 103366210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).