3-ethyl-1-(3-methoxy-2-methylpropyl)-3-methyl-1,4-diazepane

C13H28N2O — CID 64948758

IUPAC3-ethyl-1-(3-methoxy-2-methylpropyl)-3-methyl-1,4-diazepane
SMILESCCC1(C)CN(CC(C)COC)CCCN1
InChIInChI=1S/C13H28N2O/c1-5-13(3)11-15(8-6-7-14-13)9-12(2)10-16-4/h12,14H,5-11H2,1-4H3
InChIKeyGKGZZLUQAPDQRJ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds5

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

3-ethyl-1-(3-methoxy-2-methylpropyl)-3-methyl-1,4-diazepane (PubChem CID 64948758) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-ethyl-1-(3-methoxy-2-methylpropyl)-3-methyl-1,4-diazepane.

Molecular Properties

Compound Name3-ethyl-1-(3-methoxy-2-methylpropyl)-3-methyl-1,4-diazepane
PubChem CID64948758
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-ethyl-1-(3-methoxy-2-methylpropyl)-3-methyl-1,4-diazepane
SMILESCCC1(C)CN(CC(C)COC)CCCN1
InChIInChI=1S/C13H28N2O/c1-5-13(3)11-15(8-6-7-14-13)9-12(2)10-16-4/h12,14H,5-11H2,1-4H3
InChIKeyGKGZZLUQAPDQRJ-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-1-(3-methoxy-2-methylpropyl)-3-methyl-1,4-diazepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dimethoxypropyl)-3-ethyl-3-methyl-1,4-diazepane
CID 114102110
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
3-ethyl-3-methyl-1-(2-propan-2-ylsulfonylethyl)-1,4-diazepane
CID 106733365
2-(3-methoxy-2-methylpropyl)-2-methylpyrrolidine
CID 116503647
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-methylsulfonylethyl)-1,4-diazepane
CID 64869553
1-[(3,4-dimethoxyphenyl)methyl]-3-ethyl-3-methyl-1,4-diazepane
CID 64871718
1-(3-methoxy-2-methylpropyl)-3-methylpyrrolidine-3-carboxylic acid
CID 116503311
3,3-diethyl-1-(1-methoxy-3-methylbutan-2-yl)-1,4-diazepane
CID 65053430

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-methoxy-2-methylpropyl)-3-methyl-1,4-diazepane?
The IUPAC name of 3-ethyl-1-(3-methoxy-2-methylpropyl)-3-methyl-1,4-diazepane (CID 64948758) is 3-ethyl-1-(3-methoxy-2-methylpropyl)-3-methyl-1,4-diazepane.
What is the SMILES notation for 3-ethyl-1-(3-methoxy-2-methylpropyl)-3-methyl-1,4-diazepane?
The canonical SMILES for 3-ethyl-1-(3-methoxy-2-methylpropyl)-3-methyl-1,4-diazepane is CCC1(C)CN(CC(C)COC)CCCN1.
What is the InChIKey of 3-ethyl-1-(3-methoxy-2-methylpropyl)-3-methyl-1,4-diazepane?
The InChIKey is GKGZZLUQAPDQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-13(3)11-15(8-6-7-14-13)9-12(2)10-16-4/h12,14H,5-11H2,1-4H3.
What are the key properties of 3-ethyl-1-(3-methoxy-2-methylpropyl)-3-methyl-1,4-diazepane?
3-ethyl-1-(3-methoxy-2-methylpropyl)-3-methyl-1,4-diazepane has a molecular weight of 228.38 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-methoxy-2-methylpropyl)-3-methyl-1,4-diazepane is sourced from PubChem (CID 64948758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).