6-methyl-1-(oxolan-3-ylmethyl)-1,4-diazepane

C11H22N2O — CID 62824558

IUPAC6-methyl-1-(oxolan-3-ylmethyl)-1,4-diazepane
SMILESCC1CNCCN(CC2CCOC2)C1
InChIInChI=1S/C11H22N2O/c1-10-6-12-3-4-13(7-10)8-11-2-5-14-9-11/h10-12H,2-9H2,1H3
InChIKeyYSONMYDNURXAHR-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.56
Rot. Bonds2

About 6-methyl-1-(oxolan-3-ylmethyl)-1,4-diazepane

6-methyl-1-(oxolan-3-ylmethyl)-1,4-diazepane (PubChem CID 62824558) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 6-methyl-1-(oxolan-3-ylmethyl)-1,4-diazepane.

Molecular Properties

Compound Name6-methyl-1-(oxolan-3-ylmethyl)-1,4-diazepane
PubChem CID62824558
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name6-methyl-1-(oxolan-3-ylmethyl)-1,4-diazepane
SMILESCC1CNCCN(CC2CCOC2)C1
InChIInChI=1S/C11H22N2O/c1-10-6-12-3-4-13(7-10)8-11-2-5-14-9-11/h10-12H,2-9H2,1H3
InChIKeyYSONMYDNURXAHR-UHFFFAOYSA-N
XLogP0.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxolan-3-ylmethyl)-1,4-diazepan-6-ol
CID 130542390
3-methyl-1-(oxan-4-ylmethyl)-1,5-diazocane
CID 63712685
3-methyl-1-(oxolan-3-ylmethyl)piperidine
CID 77147821
6-methyl-4-(piperidin-4-ylmethyl)-1,4-oxazepane
CID 120848898
4,6-dimethyl-1-(oxolan-3-ylmethyl)-1,5-diazocane
CID 62824730
1-(cyclopentylmethyl)-3-methyl-1,5,9-triazacyclododecane
CID 175833983
3-methyl-1-(oxolan-3-ylmethyl)piperidin-4-ol
CID 114502613
6-methyl-1-[(2-methylcyclopentyl)methyl]-1,4-diazepane
CID 107420452
3-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane
CID 107415122
1-(oxolan-3-ylmethyl)pyrrolidine
CID 66580688
(3aS,6aS)-5-(oxolan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 64850841
(2R)-2-methyl-1-(oxan-3-ylmethyl)piperazine;hydrochloride
CID 130678897

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(oxolan-3-ylmethyl)-1,4-diazepane?
The IUPAC name of 6-methyl-1-(oxolan-3-ylmethyl)-1,4-diazepane (CID 62824558) is 6-methyl-1-(oxolan-3-ylmethyl)-1,4-diazepane.
What is the SMILES notation for 6-methyl-1-(oxolan-3-ylmethyl)-1,4-diazepane?
The canonical SMILES for 6-methyl-1-(oxolan-3-ylmethyl)-1,4-diazepane is CC1CNCCN(CC2CCOC2)C1.
What is the InChIKey of 6-methyl-1-(oxolan-3-ylmethyl)-1,4-diazepane?
The InChIKey is YSONMYDNURXAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-10-6-12-3-4-13(7-10)8-11-2-5-14-9-11/h10-12H,2-9H2,1H3.
What are the key properties of 6-methyl-1-(oxolan-3-ylmethyl)-1,4-diazepane?
6-methyl-1-(oxolan-3-ylmethyl)-1,4-diazepane has a molecular weight of 198.31 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(oxolan-3-ylmethyl)-1,4-diazepane is sourced from PubChem (CID 62824558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).