(2R,4S)-1,2,4-trimethyl-1,3-diazinane

C7H16N2 — CID 45087354

IUPAC(2R,4S)-1,2,4-trimethyl-1,3-diazinane
SMILESC[C@@H]1N[C@@H](C)CCN1C
InChIInChI=1S/C7H16N2/c1-6-4-5-9(3)7(2)8-6/h6-8H,4-5H2,1-3H3/t6-,7+/m0/s1
InChIKeyWSJRBDXRBCLXPK-NKWVEPMBSA-N
MW128.22 g/mol
LogP0.65
Rot. Bonds

About (2R,4S)-1,2,4-trimethyl-1,3-diazinane

(2R,4S)-1,2,4-trimethyl-1,3-diazinane (PubChem CID 45087354) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is (2R,4S)-1,2,4-trimethyl-1,3-diazinane.

Molecular Properties

Compound Name(2R,4S)-1,2,4-trimethyl-1,3-diazinane
PubChem CID45087354
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name(2R,4S)-1,2,4-trimethyl-1,3-diazinane
SMILESC[C@@H]1N[C@@H](C)CCN1C
InChIInChI=1S/C7H16N2/c1-6-4-5-9(3)7(2)8-6/h6-8H,4-5H2,1-3H3/t6-,7+/m0/s1
InChIKeyWSJRBDXRBCLXPK-NKWVEPMBSA-N
XLogP0.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1,2,4-trimethyl-1,3-diazinane?
The IUPAC name of (2R,4S)-1,2,4-trimethyl-1,3-diazinane (CID 45087354) is (2R,4S)-1,2,4-trimethyl-1,3-diazinane.
What is the SMILES notation for (2R,4S)-1,2,4-trimethyl-1,3-diazinane?
The canonical SMILES for (2R,4S)-1,2,4-trimethyl-1,3-diazinane is C[C@@H]1N[C@@H](C)CCN1C.
What is the InChIKey of (2R,4S)-1,2,4-trimethyl-1,3-diazinane?
The InChIKey is WSJRBDXRBCLXPK-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H16N2/c1-6-4-5-9(3)7(2)8-6/h6-8H,4-5H2,1-3H3/t6-,7+/m0/s1.
What are the key properties of (2R,4S)-1,2,4-trimethyl-1,3-diazinane?
(2R,4S)-1,2,4-trimethyl-1,3-diazinane has a molecular weight of 128.22 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1,2,4-trimethyl-1,3-diazinane is sourced from PubChem (CID 45087354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).