3,3-diethyl-1-(1-methoxy-3-methylbutan-2-yl)-1,4-diazepane

C15H32N2O — CID 65053430

IUPAC3,3-diethyl-1-(1-methoxy-3-methylbutan-2-yl)-1,4-diazepane
SMILESCCC1(CC)CN(C(COC)C(C)C)CCCN1
InChIInChI=1S/C15H32N2O/c1-6-15(7-2)12-17(10-8-9-16-15)14(11-18-5)13(3)4/h13-14,16H,6-12H2,1-5H3
InChIKeyIKJNGLUFNGAHFS-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds6

About 3,3-diethyl-1-(1-methoxy-3-methylbutan-2-yl)-1,4-diazepane

3,3-diethyl-1-(1-methoxy-3-methylbutan-2-yl)-1,4-diazepane (PubChem CID 65053430) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 3,3-diethyl-1-(1-methoxy-3-methylbutan-2-yl)-1,4-diazepane.

Molecular Properties

Compound Name3,3-diethyl-1-(1-methoxy-3-methylbutan-2-yl)-1,4-diazepane
PubChem CID65053430
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name3,3-diethyl-1-(1-methoxy-3-methylbutan-2-yl)-1,4-diazepane
SMILESCCC1(CC)CN(C(COC)C(C)C)CCCN1
InChIInChI=1S/C15H32N2O/c1-6-15(7-2)12-17(10-8-9-16-15)14(11-18-5)13(3)4/h13-14,16H,6-12H2,1-5H3
InChIKeyIKJNGLUFNGAHFS-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(1-methoxy-3-methylbutan-2-yl)-1,4-diazepane?
The IUPAC name of 3,3-diethyl-1-(1-methoxy-3-methylbutan-2-yl)-1,4-diazepane (CID 65053430) is 3,3-diethyl-1-(1-methoxy-3-methylbutan-2-yl)-1,4-diazepane.
What is the SMILES notation for 3,3-diethyl-1-(1-methoxy-3-methylbutan-2-yl)-1,4-diazepane?
The canonical SMILES for 3,3-diethyl-1-(1-methoxy-3-methylbutan-2-yl)-1,4-diazepane is CCC1(CC)CN(C(COC)C(C)C)CCCN1.
What is the InChIKey of 3,3-diethyl-1-(1-methoxy-3-methylbutan-2-yl)-1,4-diazepane?
The InChIKey is IKJNGLUFNGAHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-6-15(7-2)12-17(10-8-9-16-15)14(11-18-5)13(3)4/h13-14,16H,6-12H2,1-5H3.
What are the key properties of 3,3-diethyl-1-(1-methoxy-3-methylbutan-2-yl)-1,4-diazepane?
3,3-diethyl-1-(1-methoxy-3-methylbutan-2-yl)-1,4-diazepane has a molecular weight of 256.43 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(1-methoxy-3-methylbutan-2-yl)-1,4-diazepane is sourced from PubChem (CID 65053430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).