1-(2,2-diethyloxan-4-yl)-3-ethyl-3-methyl-1,4-diazepane

C17H34N2O — CID 83039643

IUPAC1-(2,2-diethyloxan-4-yl)-3-ethyl-3-methyl-1,4-diazepane
SMILESCCC1(C)CN(C2CCOC(CC)(CC)C2)CCCN1
InChIInChI=1S/C17H34N2O/c1-5-16(4)14-19(11-8-10-18-16)15-9-12-20-17(6-2,7-3)13-15/h15,18H,5-14H2,1-4H3
InChIKeyRPAPOGZBXABWCQ-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.19
Rot. Bonds4

About 1-(2,2-diethyloxan-4-yl)-3-ethyl-3-methyl-1,4-diazepane

1-(2,2-diethyloxan-4-yl)-3-ethyl-3-methyl-1,4-diazepane (PubChem CID 83039643) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-(2,2-diethyloxan-4-yl)-3-ethyl-3-methyl-1,4-diazepane.

Molecular Properties

Compound Name1-(2,2-diethyloxan-4-yl)-3-ethyl-3-methyl-1,4-diazepane
PubChem CID83039643
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name1-(2,2-diethyloxan-4-yl)-3-ethyl-3-methyl-1,4-diazepane
SMILESCCC1(C)CN(C2CCOC(CC)(CC)C2)CCCN1
InChIInChI=1S/C17H34N2O/c1-5-16(4)14-19(11-8-10-18-16)15-9-12-20-17(6-2,7-3)13-15/h15,18H,5-14H2,1-4H3
InChIKeyRPAPOGZBXABWCQ-UHFFFAOYSA-N
XLogP3.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-diethyloxan-4-yl)-3,3-dimethyl-1,4-diazepane
CID 83039236
3-ethyl-3-methyl-1-(1-propylpiperidin-4-yl)-1,4-diazepane
CID 64944448
1-(3,3-dimethylcyclopentyl)-3-ethyl-3-methylpiperazine
CID 114551192
N-cyclopropyl-1-(2,2-diethyloxan-4-yl)piperidin-3-amine
CID 83039229
11-(2,2-dimethyloxan-4-yl)-7,11-diazaspiro[5.6]dodecane
CID 83039971
[1-(2,2-diethyloxan-4-yl)pyrrolidin-3-yl]methanol
CID 83040396
1-(2,2-diethyloxan-4-yl)-6-(trifluoromethyl)-1,4-diazepane
CID 103372116
1-(2,2-diethyloxan-4-yl)piperidin-2-imine
CID 83029021
1-(2,2-diethyloxan-4-yl)piperazin-2-one
CID 83040073
1-(2,2-diethyloxan-4-yl)-1,3-diazinane-2,4-dione
CID 83039447
4-(2,2-dimethyloxan-4-yl)-1,4-diazaspiro[5.5]undecane
CID 83038956
1-(2,2-diethyloxan-4-yl)-3-methylpiperazine-2,5-dione
CID 83040533

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethyloxan-4-yl)-3-ethyl-3-methyl-1,4-diazepane?
The IUPAC name of 1-(2,2-diethyloxan-4-yl)-3-ethyl-3-methyl-1,4-diazepane (CID 83039643) is 1-(2,2-diethyloxan-4-yl)-3-ethyl-3-methyl-1,4-diazepane.
What is the SMILES notation for 1-(2,2-diethyloxan-4-yl)-3-ethyl-3-methyl-1,4-diazepane?
The canonical SMILES for 1-(2,2-diethyloxan-4-yl)-3-ethyl-3-methyl-1,4-diazepane is CCC1(C)CN(C2CCOC(CC)(CC)C2)CCCN1.
What is the InChIKey of 1-(2,2-diethyloxan-4-yl)-3-ethyl-3-methyl-1,4-diazepane?
The InChIKey is RPAPOGZBXABWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-5-16(4)14-19(11-8-10-18-16)15-9-12-20-17(6-2,7-3)13-15/h15,18H,5-14H2,1-4H3.
What are the key properties of 1-(2,2-diethyloxan-4-yl)-3-ethyl-3-methyl-1,4-diazepane?
1-(2,2-diethyloxan-4-yl)-3-ethyl-3-methyl-1,4-diazepane has a molecular weight of 282.47 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethyloxan-4-yl)-3-ethyl-3-methyl-1,4-diazepane is sourced from PubChem (CID 83039643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).