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

C11H21F3N2O — CID 103366354

IUPACN'-methyl-N'-(oxan-3-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine
SMILESCN(CC1CCCOC1)CC(CN)C(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-16(6-9-3-2-4-17-8-9)7-10(5-15)11(12,13)14/h9-10H,2-8,15H2,1H3
InChIKeyZHUIIGFRULLTLQ-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.48
Rot. Bonds5

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

N'-methyl-N'-(oxan-3-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine (PubChem CID 103366354) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is N'-methyl-N'-(oxan-3-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(oxan-3-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine
PubChem CID103366354
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC NameN'-methyl-N'-(oxan-3-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine
SMILESCN(CC1CCCOC1)CC(CN)C(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-16(6-9-3-2-4-17-8-9)7-10(5-15)11(12,13)14/h9-10H,2-8,15H2,1H3
InChIKeyZHUIIGFRULLTLQ-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-Aminoethyl)(methyl)[(oxan-3-yl)methyl]amine
CID 63727277
4,4-Difluoro-3-(methoxymethyl)piperidine
CID 105432609
3-[(Cyclopropylmethoxy)methyl]-4,4-difluoropiperidine
CID 124051189
2,2-difluoro-N-methyl-N-[(5-methyl-4-propan-2-yloxan-3-yl)methyl]ethanamine
CID 146500778
1-Methyl-3-(2,2,2-trifluoroethoxymethyl)piperidine
CID 154187285
1-Piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine
CID 156735113
N-[[6-(trifluoromethyl)oxan-3-yl]methyl]ethanamine
CID 156872224
3-(2,2,2-Trifluoroethoxymethyl)piperidine
CID 24691148
(3R)-3-(2,2,2-trifluoroethoxymethyl)piperidine
CID 28173264
(3S)-3-(2,2,2-trifluoroethoxymethyl)piperidine
CID 28173266
3-(2-Fluoroethoxymethyl)piperidine
CID 53409398
N-(oxan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 54905601

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(oxan-3-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-(oxan-3-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine (CID 103366354) is N'-methyl-N'-(oxan-3-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-(oxan-3-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-(oxan-3-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine is CN(CC1CCCOC1)CC(CN)C(F)(F)F.
What is the InChIKey of N'-methyl-N'-(oxan-3-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine?
The InChIKey is ZHUIIGFRULLTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-16(6-9-3-2-4-17-8-9)7-10(5-15)11(12,13)14/h9-10H,2-8,15H2,1H3.
What are the key properties of N'-methyl-N'-(oxan-3-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine?
N'-methyl-N'-(oxan-3-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine has a molecular weight of 254.30 g/mol, XLogP of 1.48, 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-3-ylmethyl)-2-(trifluoromethyl)propane-1,3-diamine is sourced from PubChem (CID 103366354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).