1-(1,4-dioxan-2-ylmethyl)-3,3-dimethyl-1,4-diazepane

C12H24N2O2 — CID 64944195

IUPAC1-(1,4-dioxan-2-ylmethyl)-3,3-dimethyl-1,4-diazepane
SMILESCC1(C)CN(CC2COCCO2)CCCN1
InChIInChI=1S/C12H24N2O2/c1-12(2)10-14(5-3-4-13-12)8-11-9-15-6-7-16-11/h11,13H,3-10H2,1-2H3
InChIKeyQWGDOAVMDITRAB-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.48
Rot. Bonds2

About 1-(1,4-dioxan-2-ylmethyl)-3,3-dimethyl-1,4-diazepane

1-(1,4-dioxan-2-ylmethyl)-3,3-dimethyl-1,4-diazepane (PubChem CID 64944195) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-ylmethyl)-3,3-dimethyl-1,4-diazepane.

Molecular Properties

Compound Name1-(1,4-dioxan-2-ylmethyl)-3,3-dimethyl-1,4-diazepane
PubChem CID64944195
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-(1,4-dioxan-2-ylmethyl)-3,3-dimethyl-1,4-diazepane
SMILESCC1(C)CN(CC2COCCO2)CCCN1
InChIInChI=1S/C12H24N2O2/c1-12(2)10-14(5-3-4-13-12)8-11-9-15-6-7-16-11/h11,13H,3-10H2,1-2H3
InChIKeyQWGDOAVMDITRAB-UHFFFAOYSA-N
XLogP0.48
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-dioxan-2-ylmethyl)-3-fluoro-3-methylpiperidine
CID 126793844
3,3-dimethyl-1-(oxolan-2-ylmethyl)piperazine
CID 64834436
3,3-dimethyl-1-(oxan-4-ylmethyl)-1,4-diazepane
CID 64871665
3,3-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane
CID 102901662
3,3-dimethyl-1-[2-(oxolan-2-yl)ethyl]-1,4-diazepane
CID 64943274
1-(1,4-dioxan-2-ylmethyl)-3-ethyl-1,4-diazepane
CID 64944587
4-[2-(3,3-dimethyl-1,4-diazepan-1-yl)ethyl]morpholine
CID 82243835
3-cyclopropyl-3-methyl-1-(oxan-2-ylmethyl)-1,4-diazepane
CID 64869910
3,3-dimethyl-1-[(1-methylpyrrolidin-3-yl)methyl]-1,4-diazepane
CID 64944982
4-ethyl-2-[(3-ethyl-3-methyl-1,4-diazepan-1-yl)methyl]morpholine
CID 114401357
1-(2,2-dimethylpropyl)-3,3-dimethyl-1,4-diazepane
CID 64943217
9-(1,4-dioxan-2-ylmethyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64935156

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-ylmethyl)-3,3-dimethyl-1,4-diazepane?
The IUPAC name of 1-(1,4-dioxan-2-ylmethyl)-3,3-dimethyl-1,4-diazepane (CID 64944195) is 1-(1,4-dioxan-2-ylmethyl)-3,3-dimethyl-1,4-diazepane.
What is the SMILES notation for 1-(1,4-dioxan-2-ylmethyl)-3,3-dimethyl-1,4-diazepane?
The canonical SMILES for 1-(1,4-dioxan-2-ylmethyl)-3,3-dimethyl-1,4-diazepane is CC1(C)CN(CC2COCCO2)CCCN1.
What is the InChIKey of 1-(1,4-dioxan-2-ylmethyl)-3,3-dimethyl-1,4-diazepane?
The InChIKey is QWGDOAVMDITRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2)10-14(5-3-4-13-12)8-11-9-15-6-7-16-11/h11,13H,3-10H2,1-2H3.
What are the key properties of 1-(1,4-dioxan-2-ylmethyl)-3,3-dimethyl-1,4-diazepane?
1-(1,4-dioxan-2-ylmethyl)-3,3-dimethyl-1,4-diazepane has a molecular weight of 228.34 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-ylmethyl)-3,3-dimethyl-1,4-diazepane is sourced from PubChem (CID 64944195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).