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

C10H19F3N2O — CID 103366209

IUPACN'-methyl-N'-(oxolan-2-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine
SMILESCN(CC1CCCO1)CC(CN)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-15(7-9-3-2-4-16-9)6-8(5-14)10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyIBXJMRQJGQJZOO-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.23
Rot. Bonds5

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

N'-methyl-N'-(oxolan-2-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine (PubChem CID 103366209) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is N'-methyl-N'-(oxolan-2-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(oxolan-2-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine
PubChem CID103366209
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC NameN'-methyl-N'-(oxolan-2-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine
SMILESCN(CC1CCCO1)CC(CN)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-15(7-9-3-2-4-16-9)6-8(5-14)10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyIBXJMRQJGQJZOO-UHFFFAOYSA-N
XLogP1.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[difluoro(oxolan-2-yl)methyl]-N-ethylethanamine
CID 140159611
N-(oxolan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43765487
N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55073725
N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine
CID 55073760
2-methyl-N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine
CID 55073761
N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 55073913
N-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 55074204
2-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 55087708
1-N-(oxolan-2-ylmethyl)-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 55087752
2-N-methyl-1-N-(oxolan-2-ylmethyl)-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 55087799
N'-ethyl-N'-(oxolan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55089627
3,3,3-trifluoro-N-(oxolan-2-ylmethyl)propan-1-amine
CID 60684016

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(oxolan-2-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-(oxolan-2-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine (CID 103366209) is N'-methyl-N'-(oxolan-2-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-(oxolan-2-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-(oxolan-2-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine is CN(CC1CCCO1)CC(CN)C(F)(F)F.
What is the InChIKey of N'-methyl-N'-(oxolan-2-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine?
The InChIKey is IBXJMRQJGQJZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-15(7-9-3-2-4-16-9)6-8(5-14)10(11,12)13/h8-9H,2-7,14H2,1H3.
What are the key properties of N'-methyl-N'-(oxolan-2-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine?
N'-methyl-N'-(oxolan-2-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine has a molecular weight of 240.27 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(oxolan-2-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine is sourced from PubChem (CID 103366209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).