1-(2,2-dimethyloxan-4-yl)-6-methyl-1,4-diazepane

C13H26N2O — CID 83039607

IUPAC1-(2,2-dimethyloxan-4-yl)-6-methyl-1,4-diazepane
SMILESCC1CNCCN(C2CCOC(C)(C)C2)C1
InChIInChI=1S/C13H26N2O/c1-11-9-14-5-6-15(10-11)12-4-7-16-13(2,3)8-12/h11-12,14H,4-10H2,1-3H3
InChIKeyMXSMILJHDORCJN-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds1

About 1-(2,2-dimethyloxan-4-yl)-6-methyl-1,4-diazepane

1-(2,2-dimethyloxan-4-yl)-6-methyl-1,4-diazepane (PubChem CID 83039607) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(2,2-dimethyloxan-4-yl)-6-methyl-1,4-diazepane.

Molecular Properties

Compound Name1-(2,2-dimethyloxan-4-yl)-6-methyl-1,4-diazepane
PubChem CID83039607
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(2,2-dimethyloxan-4-yl)-6-methyl-1,4-diazepane
SMILESCC1CNCCN(C2CCOC(C)(C)C2)C1
InChIInChI=1S/C13H26N2O/c1-11-9-14-5-6-15(10-11)12-4-7-16-13(2,3)8-12/h11-12,14H,4-10H2,1-3H3
InChIKeyMXSMILJHDORCJN-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethyloxan-4-yl)-6-ethyl-3-methyl-1,5-diazocane
CID 83039835
3-cyclopropyl-1-(2,2-dimethyloxan-4-yl)piperazine
CID 83039042
6-methyl-1-(3-methylcyclopentyl)-1,4-diazepane
CID 114550967
1-(2,2-dimethyloxan-4-yl)-3-phenylpiperazine
CID 83040309
4-(2,2-dimethyloxan-4-yl)-1,4-diazaspiro[5.5]undecane
CID 83038956
1-(2,2-diethyloxan-4-yl)-6-(trifluoromethyl)-1,4-diazepane
CID 103372116
1-(2,2-dimethylcyclohexyl)-6-methyl-1,4-diazepane
CID 79879039
1-(4-oxaspiro[2.5]octan-7-yl)piperazine
CID 82399396
3-methyl-1-(oxan-3-yl)-1,5-diazocane
CID 63361265
11-(2,2-dimethyloxan-4-yl)-7,11-diazaspiro[5.6]dodecane
CID 83039971
3-(6-methyl-1,4-diazepan-1-yl)thiane 1,1-dioxide
CID 63922407
N-[[1-(2,2-dimethyloxan-4-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 83028563

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyloxan-4-yl)-6-methyl-1,4-diazepane?
The IUPAC name of 1-(2,2-dimethyloxan-4-yl)-6-methyl-1,4-diazepane (CID 83039607) is 1-(2,2-dimethyloxan-4-yl)-6-methyl-1,4-diazepane.
What is the SMILES notation for 1-(2,2-dimethyloxan-4-yl)-6-methyl-1,4-diazepane?
The canonical SMILES for 1-(2,2-dimethyloxan-4-yl)-6-methyl-1,4-diazepane is CC1CNCCN(C2CCOC(C)(C)C2)C1.
What is the InChIKey of 1-(2,2-dimethyloxan-4-yl)-6-methyl-1,4-diazepane?
The InChIKey is MXSMILJHDORCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11-9-14-5-6-15(10-11)12-4-7-16-13(2,3)8-12/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 1-(2,2-dimethyloxan-4-yl)-6-methyl-1,4-diazepane?
1-(2,2-dimethyloxan-4-yl)-6-methyl-1,4-diazepane has a molecular weight of 226.36 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyloxan-4-yl)-6-methyl-1,4-diazepane is sourced from PubChem (CID 83039607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).