1-(3-methoxy-3-methylbutyl)-1,4-diazepane

C11H24N2O — CID 103016683

IUPAC1-(3-methoxy-3-methylbutyl)-1,4-diazepane
SMILESCOC(C)(C)CCN1CCCNCC1
InChIInChI=1S/C11H24N2O/c1-11(2,14-3)5-9-13-8-4-6-12-7-10-13/h12H,4-10H2,1-3H3
InChIKeyYQJIENNQBRMVFQ-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.10
Rot. Bonds4

About 1-(3-methoxy-3-methylbutyl)-1,4-diazepane

1-(3-methoxy-3-methylbutyl)-1,4-diazepane (PubChem CID 103016683) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylbutyl)-1,4-diazepane.

Molecular Properties

Compound Name1-(3-methoxy-3-methylbutyl)-1,4-diazepane
PubChem CID103016683
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-(3-methoxy-3-methylbutyl)-1,4-diazepane
SMILESCOC(C)(C)CCN1CCCNCC1
InChIInChI=1S/C11H24N2O/c1-11(2,14-3)5-9-13-8-4-6-12-7-10-13/h12H,4-10H2,1-3H3
InChIKeyYQJIENNQBRMVFQ-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-methoxy-3-methylbutyl)-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-(3-Methoxy-3-methylbutyl)piperazine
CID 12052553
6-(2-Methoxyethyl)-1-methyl-1,4-diazepane
CID 23090241
6-(Methoxymethyl)-1-methyl-1,4-diazepane
CID 23090605
1-(3-Methoxypropyl)-1,4-diazepane
CID 47003025
1-(3-Propan-2-yloxypropyl)-1,4-diazepane
CID 95438255
6-(1-Methoxyethyl)-4-methyl-1,4-diazepan-2-amine
CID 166846738
4-[4-(3-Methoxypropyl)-1,4-diazepan-1-yl]butan-1-amine
CID 54935546
1-(4-Methoxy-4-methylpentan-2-yl)-1,4-diazepane
CID 61058092
1-(3-Ethoxypropyl)-6-methyl-1,4-diazepane
CID 61550015
1-(3-Methoxypropyl)-6-methyl-1,4-diazepane
CID 61550019
1-(3-Methoxypropyl)-5-methyl-1,4-diazepane
CID 61550020
1-(3-Methoxy-2-methylpropyl)-1,4-diazepane
CID 61960729

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-methylbutyl)-1,4-diazepane?
The IUPAC name of 1-(3-methoxy-3-methylbutyl)-1,4-diazepane (CID 103016683) is 1-(3-methoxy-3-methylbutyl)-1,4-diazepane.
What is the SMILES notation for 1-(3-methoxy-3-methylbutyl)-1,4-diazepane?
The canonical SMILES for 1-(3-methoxy-3-methylbutyl)-1,4-diazepane is COC(C)(C)CCN1CCCNCC1.
What is the InChIKey of 1-(3-methoxy-3-methylbutyl)-1,4-diazepane?
The InChIKey is YQJIENNQBRMVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-11(2,14-3)5-9-13-8-4-6-12-7-10-13/h12H,4-10H2,1-3H3.
What are the key properties of 1-(3-methoxy-3-methylbutyl)-1,4-diazepane?
1-(3-methoxy-3-methylbutyl)-1,4-diazepane has a molecular weight of 200.33 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-methylbutyl)-1,4-diazepane is sourced from PubChem (CID 103016683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).