1-methyl-4-(oxolan-3-yl)-1,4-diazepane

C10H20N2O — CID 143294368

IUPAC1-methyl-4-(oxolan-3-yl)-1,4-diazepane
SMILESCN1CCCN(C2CCOC2)CC1
InChIInChI=1S/C10H20N2O/c1-11-4-2-5-12(7-6-11)10-3-8-13-9-10/h10H,2-9H2,1H3
InChIKeyHOSGKYQXNAXOSO-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.41
Rot. Bonds1

About 1-methyl-4-(oxolan-3-yl)-1,4-diazepane

1-methyl-4-(oxolan-3-yl)-1,4-diazepane (PubChem CID 143294368) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-methyl-4-(oxolan-3-yl)-1,4-diazepane.

Molecular Properties

Compound Name1-methyl-4-(oxolan-3-yl)-1,4-diazepane
PubChem CID143294368
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-methyl-4-(oxolan-3-yl)-1,4-diazepane
SMILESCN1CCCN(C2CCOC2)CC1
InChIInChI=1S/C10H20N2O/c1-11-4-2-5-12(7-6-11)10-3-8-13-9-10/h10H,2-9H2,1H3
InChIKeyHOSGKYQXNAXOSO-UHFFFAOYSA-N
XLogP0.41
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-4-(oxolan-3-yl)-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 1-methyl-4-(oxolan-3-yl)-1,4-diazepane?
The IUPAC name of 1-methyl-4-(oxolan-3-yl)-1,4-diazepane (CID 143294368) is 1-methyl-4-(oxolan-3-yl)-1,4-diazepane.
What is the SMILES notation for 1-methyl-4-(oxolan-3-yl)-1,4-diazepane?
The canonical SMILES for 1-methyl-4-(oxolan-3-yl)-1,4-diazepane is CN1CCCN(C2CCOC2)CC1.
What is the InChIKey of 1-methyl-4-(oxolan-3-yl)-1,4-diazepane?
The InChIKey is HOSGKYQXNAXOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-11-4-2-5-12(7-6-11)10-3-8-13-9-10/h10H,2-9H2,1H3.
What are the key properties of 1-methyl-4-(oxolan-3-yl)-1,4-diazepane?
1-methyl-4-(oxolan-3-yl)-1,4-diazepane has a molecular weight of 184.28 g/mol, XLogP of 0.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(oxolan-3-yl)-1,4-diazepane is sourced from PubChem (CID 143294368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).