1-methyl-4-(2-propan-2-yloxyethyl)-1,3-diazinane

C10H22N2O — CID 176597370

IUPAC1-methyl-4-(2-propan-2-yloxyethyl)-1,3-diazinane
SMILESCC(C)OCCC1CCN(C)CN1
InChIInChI=1S/C10H22N2O/c1-9(2)13-7-5-10-4-6-12(3)8-11-10/h9-11H,4-8H2,1-3H3
InChIKeyKCZPQKWKDISSNM-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.05
Rot. Bonds4

About 1-methyl-4-(2-propan-2-yloxyethyl)-1,3-diazinane

1-methyl-4-(2-propan-2-yloxyethyl)-1,3-diazinane (PubChem CID 176597370) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-methyl-4-(2-propan-2-yloxyethyl)-1,3-diazinane.

Molecular Properties

Compound Name1-methyl-4-(2-propan-2-yloxyethyl)-1,3-diazinane
PubChem CID176597370
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name1-methyl-4-(2-propan-2-yloxyethyl)-1,3-diazinane
SMILESCC(C)OCCC1CCN(C)CN1
InChIInChI=1S/C10H22N2O/c1-9(2)13-7-5-10-4-6-12(3)8-11-10/h9-11H,4-8H2,1-3H3
InChIKeyKCZPQKWKDISSNM-UHFFFAOYSA-N
XLogP1.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-propan-2-yloxyethyl)-1,3-diazinane?
The IUPAC name of 1-methyl-4-(2-propan-2-yloxyethyl)-1,3-diazinane (CID 176597370) is 1-methyl-4-(2-propan-2-yloxyethyl)-1,3-diazinane.
What is the SMILES notation for 1-methyl-4-(2-propan-2-yloxyethyl)-1,3-diazinane?
The canonical SMILES for 1-methyl-4-(2-propan-2-yloxyethyl)-1,3-diazinane is CC(C)OCCC1CCN(C)CN1.
What is the InChIKey of 1-methyl-4-(2-propan-2-yloxyethyl)-1,3-diazinane?
The InChIKey is KCZPQKWKDISSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-9(2)13-7-5-10-4-6-12(3)8-11-10/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-methyl-4-(2-propan-2-yloxyethyl)-1,3-diazinane?
1-methyl-4-(2-propan-2-yloxyethyl)-1,3-diazinane has a molecular weight of 186.30 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-propan-2-yloxyethyl)-1,3-diazinane is sourced from PubChem (CID 176597370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).