3-(methoxymethyl)-1-methyl-1,4-diazepane

C8H18N2O — CID 23090505

IUPAC3-(methoxymethyl)-1-methyl-1,4-diazepane
SMILESCOCC1CN(C)CCCN1
InChIInChI=1S/C8H18N2O/c1-10-5-3-4-9-8(6-10)7-11-2/h8-9H,3-7H2,1-2H3
InChIKeyVRNDSFDMNQELJB-UHFFFAOYSA-N
MW158.25 g/mol
LogP-0.07
Rot. Bonds2

About 3-(methoxymethyl)-1-methyl-1,4-diazepane

3-(methoxymethyl)-1-methyl-1,4-diazepane (PubChem CID 23090505) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-methyl-1,4-diazepane.

Molecular Properties

Compound Name3-(methoxymethyl)-1-methyl-1,4-diazepane
PubChem CID23090505
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name3-(methoxymethyl)-1-methyl-1,4-diazepane
SMILESCOCC1CN(C)CCCN1
InChIInChI=1S/C8H18N2O/c1-10-5-3-4-9-8(6-10)7-11-2/h8-9H,3-7H2,1-2H3
InChIKeyVRNDSFDMNQELJB-UHFFFAOYSA-N
XLogP-0.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(methoxymethyl)-1-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

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1-methyl-1,4-diazepane?
The IUPAC name of 3-(methoxymethyl)-1-methyl-1,4-diazepane (CID 23090505) is 3-(methoxymethyl)-1-methyl-1,4-diazepane.
What is the SMILES notation for 3-(methoxymethyl)-1-methyl-1,4-diazepane?
The canonical SMILES for 3-(methoxymethyl)-1-methyl-1,4-diazepane is COCC1CN(C)CCCN1.
What is the InChIKey of 3-(methoxymethyl)-1-methyl-1,4-diazepane?
The InChIKey is VRNDSFDMNQELJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-10-5-3-4-9-8(6-10)7-11-2/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-1-methyl-1,4-diazepane?
3-(methoxymethyl)-1-methyl-1,4-diazepane has a molecular weight of 158.25 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1-methyl-1,4-diazepane is sourced from PubChem (CID 23090505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).