4,6-dimethyl-5-methylidene-1,3-diazinane

C7H14N2 — CID 91138135

IUPAC4,6-dimethyl-5-methylidene-1,3-diazinane
SMILESC=C1C(C)NCNC1C
InChIInChI=1S/C7H14N2/c1-5-6(2)8-4-9-7(5)3/h6-9H,1,4H2,2-3H3
InChIKeyMVCFYWPYLOYTTI-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.47
Rot. Bonds

About 4,6-dimethyl-5-methylidene-1,3-diazinane

4,6-dimethyl-5-methylidene-1,3-diazinane (PubChem CID 91138135) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 4,6-dimethyl-5-methylidene-1,3-diazinane.

Molecular Properties

Compound Name4,6-dimethyl-5-methylidene-1,3-diazinane
PubChem CID91138135
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name4,6-dimethyl-5-methylidene-1,3-diazinane
SMILESC=C1C(C)NCNC1C
InChIInChI=1S/C7H14N2/c1-5-6(2)8-4-9-7(5)3/h6-9H,1,4H2,2-3H3
InChIKeyMVCFYWPYLOYTTI-UHFFFAOYSA-N
XLogP0.47
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-methylidenepiperidin-2-amine
CID 59241992
6-Methyl-5-methylidenepiperidin-2-amine
CID 90778224
N-methyl-5-methylidenepiperidin-2-amine
CID 90816630
N,6-dimethyl-3-methylidenepiperidin-2-amine
CID 90837651
N,N,4-trimethyl-5-methylidene-1,3-diazinan-2-amine
CID 91041133
5-methylidene-N-propan-2-ylpiperidin-2-amine
CID 91222372
N-methyl-3-methylidenepiperidin-2-amine
CID 91511639
5-Methylidene-4-propan-2-yl-1,3-diazinane
CID 123147188
4-Methyl-5-methylidene-1,3-diazinan-2-amine
CID 123831195
4-N-methyl-4-N'-(3-methylbut-3-enyl)piperidine-4,4-diamine
CID 134389572

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5-methylidene-1,3-diazinane?
The IUPAC name of 4,6-dimethyl-5-methylidene-1,3-diazinane (CID 91138135) is 4,6-dimethyl-5-methylidene-1,3-diazinane.
What is the SMILES notation for 4,6-dimethyl-5-methylidene-1,3-diazinane?
The canonical SMILES for 4,6-dimethyl-5-methylidene-1,3-diazinane is C=C1C(C)NCNC1C.
What is the InChIKey of 4,6-dimethyl-5-methylidene-1,3-diazinane?
The InChIKey is MVCFYWPYLOYTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-5-6(2)8-4-9-7(5)3/h6-9H,1,4H2,2-3H3.
What are the key properties of 4,6-dimethyl-5-methylidene-1,3-diazinane?
4,6-dimethyl-5-methylidene-1,3-diazinane has a molecular weight of 126.20 g/mol, XLogP of 0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5-methylidene-1,3-diazinane is sourced from PubChem (CID 91138135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).