1-(2,3-dimethoxypropyl)-3-ethyl-3-methyl-1,4-diazepane

C13H28N2O2 — CID 114102110

IUPAC1-(2,3-dimethoxypropyl)-3-ethyl-3-methyl-1,4-diazepane
SMILESCCC1(C)CN(CC(COC)OC)CCCN1
InChIInChI=1S/C13H28N2O2/c1-5-13(2)11-15(8-6-7-14-13)9-12(17-4)10-16-3/h12,14H,5-11H2,1-4H3
InChIKeyCCBBYOOBRILTOF-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.11
Rot. Bonds6

About 1-(2,3-dimethoxypropyl)-3-ethyl-3-methyl-1,4-diazepane

1-(2,3-dimethoxypropyl)-3-ethyl-3-methyl-1,4-diazepane (PubChem CID 114102110) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(2,3-dimethoxypropyl)-3-ethyl-3-methyl-1,4-diazepane.

Molecular Properties

Compound Name1-(2,3-dimethoxypropyl)-3-ethyl-3-methyl-1,4-diazepane
PubChem CID114102110
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name1-(2,3-dimethoxypropyl)-3-ethyl-3-methyl-1,4-diazepane
SMILESCCC1(C)CN(CC(COC)OC)CCCN1
InChIInChI=1S/C13H28N2O2/c1-5-13(2)11-15(8-6-7-14-13)9-12(17-4)10-16-3/h12,14H,5-11H2,1-4H3
InChIKeyCCBBYOOBRILTOF-UHFFFAOYSA-N
XLogP1.11
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-(3-methoxy-2-methylpropyl)-3-methyl-1,4-diazepane
CID 64948758
3-cyclopropyl-1-(2,3-dimethoxypropyl)-3-methylpiperazine
CID 114102116
3-ethyl-1-[3-(2-methoxyethoxy)propyl]-3-methyl-1,4-diazepane
CID 103414496
3-ethyl-3-methyl-1-(2-propoxyethyl)-1,4-diazepane
CID 106458861
1-(2-butoxyethyl)-3-ethyl-3-methyl-1,4-diazepane
CID 64870534
1-(3,3-dimethylbutyl)-3-ethyl-3-methyl-1,4-diazepane
CID 64871131
3-ethyl-3-methyl-1-(2,2,3,3-tetrafluoropropyl)-1,4-diazepane
CID 114169646
3-ethyl-3-methyl-1-(2-propan-2-ylsulfonylethyl)-1,4-diazepane
CID 106733365
3-ethyl-3-methyl-1-(2-methylsulfonylethyl)-1,4-diazepane
CID 64869553
1-[(3,4-dimethoxyphenyl)methyl]-3-ethyl-3-methyl-1,4-diazepane
CID 64871718
3-ethyl-3-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-1,4-diazepane
CID 114516842
1-[(4-tert-butylphenyl)methyl]-3-ethyl-3-methyl-1,4-diazepane
CID 64870731

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxypropyl)-3-ethyl-3-methyl-1,4-diazepane?
The IUPAC name of 1-(2,3-dimethoxypropyl)-3-ethyl-3-methyl-1,4-diazepane (CID 114102110) is 1-(2,3-dimethoxypropyl)-3-ethyl-3-methyl-1,4-diazepane.
What is the SMILES notation for 1-(2,3-dimethoxypropyl)-3-ethyl-3-methyl-1,4-diazepane?
The canonical SMILES for 1-(2,3-dimethoxypropyl)-3-ethyl-3-methyl-1,4-diazepane is CCC1(C)CN(CC(COC)OC)CCCN1.
What is the InChIKey of 1-(2,3-dimethoxypropyl)-3-ethyl-3-methyl-1,4-diazepane?
The InChIKey is CCBBYOOBRILTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-5-13(2)11-15(8-6-7-14-13)9-12(17-4)10-16-3/h12,14H,5-11H2,1-4H3.
What are the key properties of 1-(2,3-dimethoxypropyl)-3-ethyl-3-methyl-1,4-diazepane?
1-(2,3-dimethoxypropyl)-3-ethyl-3-methyl-1,4-diazepane has a molecular weight of 244.38 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxypropyl)-3-ethyl-3-methyl-1,4-diazepane is sourced from PubChem (CID 114102110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).