1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methylguanidine

C10H20N4 — CID 78989956

IUPAC1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methylguanidine
SMILESC/N=C(\N)NC1CCN2CCCC2C1
InChIInChI=1S/C10H20N4/c1-12-10(11)13-8-4-6-14-5-2-3-9(14)7-8/h8-9H,2-7H2,1H3,(H3,11,12,13)
InChIKeyXONNKQWXHPREDS-UHFFFAOYSA-N
MW196.30 g/mol
LogP0.15
Rot. Bonds1

About 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methylguanidine

1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methylguanidine (PubChem CID 78989956) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methylguanidine.

Molecular Properties

Compound Name1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methylguanidine
PubChem CID78989956
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methylguanidine
SMILESC/N=C(\N)NC1CCN2CCCC2C1
InChIInChI=1S/C10H20N4/c1-12-10(11)13-8-4-6-14-5-2-3-9(14)7-8/h8-9H,2-7H2,1H3,(H3,11,12,13)
InChIKeyXONNKQWXHPREDS-UHFFFAOYSA-N
XLogP0.15
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methylguanidine?
The IUPAC name of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methylguanidine (CID 78989956) is 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methylguanidine.
What is the SMILES notation for 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methylguanidine?
The canonical SMILES for 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methylguanidine is C/N=C(\N)NC1CCN2CCCC2C1.
What is the InChIKey of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methylguanidine?
The InChIKey is XONNKQWXHPREDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-12-10(11)13-8-4-6-14-5-2-3-9(14)7-8/h8-9H,2-7H2,1H3,(H3,11,12,13).
What are the key properties of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methylguanidine?
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methylguanidine has a molecular weight of 196.30 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methylguanidine is sourced from PubChem (CID 78989956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).