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

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Related Compounds

2-(oxolan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 115826067
ethane;1-methyl-4-(oxetan-3-yl)piperazine
CID 144595664
1-(oxolan-3-yl)-4-propylpiperazine
CID 178050247
1-(oxolan-3-yl)-4-pyrrolidin-1-ylsulfonyl-1,4-diazepane
CID 131901038
1-tert-butyl-4-(oxolan-3-yl)piperazine
CID 118531588
1,3,4,5,7,8,9,9a-octahydropyrrolo[2,1-c][1,4]oxazepine
CID 122672073
(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 161070530
4-chloro-1-(oxolan-3-yl)azepane
CID 130891419
4-methyl-1-(oxolan-3-yl)-1,5-diazocane
CID 80716222
(12R,23R)-14,21-dioxa-1,8-diazatricyclo[21.3.0.08,12]hexacosane
CID 141070274
1-cyclopropyl-4-methylpiperazine;ethane;4-methylmorpholine
CID 142483010
1-(oxolan-3-yl)piperidin-4-amine
CID 63333556

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).