6-iodo-3-methyl-2,6-diazabicyclo[3.2.0]heptane

C6H11IN2 — CID 167254767

IUPAC6-iodo-3-methyl-2,6-diazabicyclo[3.2.0]heptane
SMILESCC1CC2C(CN2I)N1
InChIInChI=1S/C6H11IN2/c1-4-2-6-5(8-4)3-9(6)7/h4-6,8H,2-3H2,1H3
InChIKeyZZEUKEFHODMKBM-UHFFFAOYSA-N
MW238.07 g/mol
LogP0.77
Rot. Bonds

About 6-iodo-3-methyl-2,6-diazabicyclo[3.2.0]heptane

6-iodo-3-methyl-2,6-diazabicyclo[3.2.0]heptane (PubChem CID 167254767) has the molecular formula C6H11IN2 and a molecular weight of 238.07 g/mol. Its IUPAC name is 6-iodo-3-methyl-2,6-diazabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name6-iodo-3-methyl-2,6-diazabicyclo[3.2.0]heptane
PubChem CID167254767
Molecular FormulaC6H11IN2
Molecular Weight238.07 g/mol
Exact Mass238.00
IUPAC Name6-iodo-3-methyl-2,6-diazabicyclo[3.2.0]heptane
SMILESCC1CC2C(CN2I)N1
InChIInChI=1S/C6H11IN2/c1-4-2-6-5(8-4)3-9(6)7/h4-6,8H,2-3H2,1H3
InChIKeyZZEUKEFHODMKBM-UHFFFAOYSA-N
XLogP0.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.07
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(2R)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
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CID 7078488
2-iodo-5-methoxy-2-azabicyclo[2.1.1]hexane
CID 167275781
(1R,5S)-6-iodo-3,6-diazabicyclo[3.2.0]heptane
CID 143887791
4-methanidyl-2,6-dimethyl-1,3-diazinane
CID 171585831
(2S,4R,6S)-2-cyclopropyl-6-methylpiperidin-4-amine
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(2,6-dimethylpiperidin-4-yl)phosphane
CID 156867021
2-methyl-5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R)-5-methylpyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidine
CID 58594538
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Frequently Asked Questions

What is the IUPAC name of 6-iodo-3-methyl-2,6-diazabicyclo[3.2.0]heptane?
The IUPAC name of 6-iodo-3-methyl-2,6-diazabicyclo[3.2.0]heptane (CID 167254767) is 6-iodo-3-methyl-2,6-diazabicyclo[3.2.0]heptane.
What is the SMILES notation for 6-iodo-3-methyl-2,6-diazabicyclo[3.2.0]heptane?
The canonical SMILES for 6-iodo-3-methyl-2,6-diazabicyclo[3.2.0]heptane is CC1CC2C(CN2I)N1.
What is the InChIKey of 6-iodo-3-methyl-2,6-diazabicyclo[3.2.0]heptane?
The InChIKey is ZZEUKEFHODMKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11IN2/c1-4-2-6-5(8-4)3-9(6)7/h4-6,8H,2-3H2,1H3.
What are the key properties of 6-iodo-3-methyl-2,6-diazabicyclo[3.2.0]heptane?
6-iodo-3-methyl-2,6-diazabicyclo[3.2.0]heptane has a molecular weight of 238.07 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-3-methyl-2,6-diazabicyclo[3.2.0]heptane is sourced from PubChem (CID 167254767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).