1-(2,3-dimethyloxolan-3-yl)-3-(2-methylpropyl)-1,4-diazepane

C15H30N2O — CID 114095533

IUPAC1-(2,3-dimethyloxolan-3-yl)-3-(2-methylpropyl)-1,4-diazepane
SMILESCC(C)CC1CN(C2(C)CCOC2C)CCCN1
InChIInChI=1S/C15H30N2O/c1-12(2)10-14-11-17(8-5-7-16-14)15(4)6-9-18-13(15)3/h12-14,16H,5-11H2,1-4H3
InChIKeyJCZJSILXBJWFLI-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.26
Rot. Bonds3

About 1-(2,3-dimethyloxolan-3-yl)-3-(2-methylpropyl)-1,4-diazepane

1-(2,3-dimethyloxolan-3-yl)-3-(2-methylpropyl)-1,4-diazepane (PubChem CID 114095533) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-(2,3-dimethyloxolan-3-yl)-3-(2-methylpropyl)-1,4-diazepane.

Molecular Properties

Compound Name1-(2,3-dimethyloxolan-3-yl)-3-(2-methylpropyl)-1,4-diazepane
PubChem CID114095533
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-(2,3-dimethyloxolan-3-yl)-3-(2-methylpropyl)-1,4-diazepane
SMILESCC(C)CC1CN(C2(C)CCOC2C)CCCN1
InChIInChI=1S/C15H30N2O/c1-12(2)10-14-11-17(8-5-7-16-14)15(4)6-9-18-13(15)3/h12-14,16H,5-11H2,1-4H3
InChIKeyJCZJSILXBJWFLI-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethyloxolan-3-yl)-3-(2-methylpropyl)-1,4-diazepane?
The IUPAC name of 1-(2,3-dimethyloxolan-3-yl)-3-(2-methylpropyl)-1,4-diazepane (CID 114095533) is 1-(2,3-dimethyloxolan-3-yl)-3-(2-methylpropyl)-1,4-diazepane.
What is the SMILES notation for 1-(2,3-dimethyloxolan-3-yl)-3-(2-methylpropyl)-1,4-diazepane?
The canonical SMILES for 1-(2,3-dimethyloxolan-3-yl)-3-(2-methylpropyl)-1,4-diazepane is CC(C)CC1CN(C2(C)CCOC2C)CCCN1.
What is the InChIKey of 1-(2,3-dimethyloxolan-3-yl)-3-(2-methylpropyl)-1,4-diazepane?
The InChIKey is JCZJSILXBJWFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12(2)10-14-11-17(8-5-7-16-14)15(4)6-9-18-13(15)3/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 1-(2,3-dimethyloxolan-3-yl)-3-(2-methylpropyl)-1,4-diazepane?
1-(2,3-dimethyloxolan-3-yl)-3-(2-methylpropyl)-1,4-diazepane has a molecular weight of 254.42 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethyloxolan-3-yl)-3-(2-methylpropyl)-1,4-diazepane is sourced from PubChem (CID 114095533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).