4-iodo-5-methyl-1,3-diazinane

C5H11IN2 — CID 155155495

IUPAC4-iodo-5-methyl-1,3-diazinane
SMILESCC1CNCNC1I
InChIInChI=1S/C5H11IN2/c1-4-2-7-3-8-5(4)6/h4-5,7-8H,2-3H2,1H3
InChIKeyFODQKWRWHZMSIW-UHFFFAOYSA-N
MW226.06 g/mol
LogP0.53
Rot. Bonds

About 4-iodo-5-methyl-1,3-diazinane

4-iodo-5-methyl-1,3-diazinane (PubChem CID 155155495) has the molecular formula C5H11IN2 and a molecular weight of 226.06 g/mol. Its IUPAC name is 4-iodo-5-methyl-1,3-diazinane.

Molecular Properties

Compound Name4-iodo-5-methyl-1,3-diazinane
PubChem CID155155495
Molecular FormulaC5H11IN2
Molecular Weight226.06 g/mol
Exact Mass226.00
IUPAC Name4-iodo-5-methyl-1,3-diazinane
SMILESCC1CNCNC1I
InChIInChI=1S/C5H11IN2/c1-4-2-7-3-8-5(4)6/h4-5,7-8H,2-3H2,1H3
InChIKeyFODQKWRWHZMSIW-UHFFFAOYSA-N
XLogP0.53
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.06
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

Hexahydro-5-methylpyrimidin
CID 21639432
2-Propan-2-yl-1,3-diazinane
CID 12343996
2,5-Dimethyl-1,3-diazinane
CID 22964526
5-Methyl-1,3-diazinan-2-amine
CID 53636263
1,5-Dimethyl-1,3-diazinane
CID 53847582
2-Iodo-1,3-diazinane
CID 70615752
1-Iodo-1,3-diazinane
CID 88802069
2-Ethyl-5-methyl-1,3-diazinane
CID 89151202
5-Methyl-1,3-diazinan-4-amine
CID 89687896
2-Iodo-2-methyl-1,3-diazinane
CID 89789144
5-Iodo-5-methyl-1,3-diazinane
CID 90191637
2-Iodo-5-propyl-1,3-diazinane
CID 90253398

Frequently Asked Questions

What is the IUPAC name of 4-iodo-5-methyl-1,3-diazinane?
The IUPAC name of 4-iodo-5-methyl-1,3-diazinane (CID 155155495) is 4-iodo-5-methyl-1,3-diazinane.
What is the SMILES notation for 4-iodo-5-methyl-1,3-diazinane?
The canonical SMILES for 4-iodo-5-methyl-1,3-diazinane is CC1CNCNC1I.
What is the InChIKey of 4-iodo-5-methyl-1,3-diazinane?
The InChIKey is FODQKWRWHZMSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11IN2/c1-4-2-7-3-8-5(4)6/h4-5,7-8H,2-3H2,1H3.
What are the key properties of 4-iodo-5-methyl-1,3-diazinane?
4-iodo-5-methyl-1,3-diazinane has a molecular weight of 226.06 g/mol, XLogP of 0.53, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-5-methyl-1,3-diazinane is sourced from PubChem (CID 155155495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).