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

C10H21N5 — CID 104882139

IUPAC1-amino-3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-methylguanidine
SMILESC/N=C(\NN)NC1CCN2CCCCC12
InChIInChI=1S/C10H21N5/c1-12-10(14-11)13-8-5-7-15-6-3-2-4-9(8)15/h8-9H,2-7,11H2,1H3,(H2,12,13,14)
InChIKeyKNDLHIKONABKFZ-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.35
Rot. Bonds1

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

1-amino-3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-methylguanidine (PubChem CID 104882139) has the molecular formula C10H21N5 and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-amino-3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-methylguanidine.

Molecular Properties

Compound Name1-amino-3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-methylguanidine
PubChem CID104882139
Molecular FormulaC10H21N5
Molecular Weight211.31 g/mol
Exact Mass211.18
IUPAC Name1-amino-3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-methylguanidine
SMILESC/N=C(\NN)NC1CCN2CCCCC12
InChIInChI=1S/C10H21N5/c1-12-10(14-11)13-8-5-7-15-6-3-2-4-9(8)15/h8-9H,2-7,11H2,1H3,(H2,12,13,14)
InChIKeyKNDLHIKONABKFZ-UHFFFAOYSA-N
XLogP-0.35
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-methylguanidine?
The IUPAC name of 1-amino-3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-methylguanidine (CID 104882139) is 1-amino-3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-methylguanidine.
What is the SMILES notation for 1-amino-3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-methylguanidine?
The canonical SMILES for 1-amino-3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-methylguanidine is C/N=C(\NN)NC1CCN2CCCCC12.
What is the InChIKey of 1-amino-3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-methylguanidine?
The InChIKey is KNDLHIKONABKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5/c1-12-10(14-11)13-8-5-7-15-6-3-2-4-9(8)15/h8-9H,2-7,11H2,1H3,(H2,12,13,14).
What are the key properties of 1-amino-3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-methylguanidine?
1-amino-3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-methylguanidine has a molecular weight of 211.31 g/mol, XLogP of -0.35, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-methylguanidine is sourced from PubChem (CID 104882139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).