1-cyclohexyl-3-methyl-1,3-diazinane

C11H22N2 — CID 54499481

IUPAC1-cyclohexyl-3-methyl-1,3-diazinane
SMILESCN1CCCN(C2CCCCC2)C1
InChIInChI=1S/C11H22N2/c1-12-8-5-9-13(10-12)11-6-3-2-4-7-11/h11H,2-10H2,1H3
InChIKeyYBKUNHBQKWOWOY-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.91
Rot. Bonds1

About 1-cyclohexyl-3-methyl-1,3-diazinane

1-cyclohexyl-3-methyl-1,3-diazinane (PubChem CID 54499481) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-cyclohexyl-3-methyl-1,3-diazinane.

Molecular Properties

Compound Name1-cyclohexyl-3-methyl-1,3-diazinane
PubChem CID54499481
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-cyclohexyl-3-methyl-1,3-diazinane
SMILESCN1CCCN(C2CCCCC2)C1
InChIInChI=1S/C11H22N2/c1-12-8-5-9-13(10-12)11-6-3-2-4-7-11/h11H,2-10H2,1H3
InChIKeyYBKUNHBQKWOWOY-UHFFFAOYSA-N
XLogP1.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-methyl-1,3-diazinane?
The IUPAC name of 1-cyclohexyl-3-methyl-1,3-diazinane (CID 54499481) is 1-cyclohexyl-3-methyl-1,3-diazinane.
What is the SMILES notation for 1-cyclohexyl-3-methyl-1,3-diazinane?
The canonical SMILES for 1-cyclohexyl-3-methyl-1,3-diazinane is CN1CCCN(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-3-methyl-1,3-diazinane?
The InChIKey is YBKUNHBQKWOWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-12-8-5-9-13(10-12)11-6-3-2-4-7-11/h11H,2-10H2,1H3.
What are the key properties of 1-cyclohexyl-3-methyl-1,3-diazinane?
1-cyclohexyl-3-methyl-1,3-diazinane has a molecular weight of 182.31 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-methyl-1,3-diazinane is sourced from PubChem (CID 54499481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).