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

C13H27N5 — CID 104887813

IUPAC1-amino-3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\NN)NC1CCN2CCCC2C1
InChIInChI=1S/C13H27N5/c1-10(2)9-15-13(17-14)16-11-5-7-18-6-3-4-12(18)8-11/h10-12H,3-9,14H2,1-2H3,(H2,15,16,17)
InChIKeyQZMAJQRRKSUZIN-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.68
Rot. Bonds3

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

1-amino-3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-(2-methylpropyl)guanidine (PubChem CID 104887813) has the molecular formula C13H27N5 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-amino-3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-(2-methylpropyl)guanidine
PubChem CID104887813
Molecular FormulaC13H27N5
Molecular Weight253.39 g/mol
Exact Mass253.23
IUPAC Name1-amino-3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\NN)NC1CCN2CCCC2C1
InChIInChI=1S/C13H27N5/c1-10(2)9-15-13(17-14)16-11-5-7-18-6-3-4-12(18)8-11/h10-12H,3-9,14H2,1-2H3,(H2,15,16,17)
InChIKeyQZMAJQRRKSUZIN-UHFFFAOYSA-N
XLogP0.68
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.68
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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Related Compounds

1-(1,2,3,5,6,7,8,8a-Octahydroindolizin-1-yl)-2-(2-methylpropyl)guanidine
CID 55063677
1-(1,2,3,5,6,7,8,8a-Octahydroindolizin-7-yl)-2-methylguanidine
CID 78989956
1-(1,2,3,5,6,7,8,8a-Octahydroindolizin-7-yl)-2-propylguanidine
CID 81617320
1-(1,2,3,5,6,7,8,8a-Octahydroindolizin-7-yl)-2-ethylguanidine
CID 81617481
1-(1,2,3,5,6,7,8,8a-Octahydroindolizin-7-yl)-2-(2-methylpropyl)guanidine
CID 81617482
2-(1,2,3,5,6,7,8,8a-Octahydroindolizin-7-yl)-1-propan-2-ylguanidine
CID 81617715
1-Amino-3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-methylguanidine
CID 104882139
1-Amino-3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methylguanidine
CID 104882387
1-Amino-3-[3-(2-methylpiperidin-1-yl)propyl]-2-(2-methylpropyl)guanidine
CID 104883005
1-Amino-3-(1-methylpiperidin-4-yl)-2-(2-methylpropyl)guanidine
CID 104883734
1-Amino-3-cyclohexyl-2-[(1-ethylpyrrolidin-3-yl)methyl]guanidine
CID 104884140
1-Amino-3-cyclohexyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 104884149

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-amino-3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-(2-methylpropyl)guanidine (CID 104887813) is 1-amino-3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-amino-3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-amino-3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-(2-methylpropyl)guanidine is CC(C)C/N=C(\NN)NC1CCN2CCCC2C1.
What is the InChIKey of 1-amino-3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-(2-methylpropyl)guanidine?
The InChIKey is QZMAJQRRKSUZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5/c1-10(2)9-15-13(17-14)16-11-5-7-18-6-3-4-12(18)8-11/h10-12H,3-9,14H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-amino-3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-(2-methylpropyl)guanidine?
1-amino-3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-(2-methylpropyl)guanidine has a molecular weight of 253.39 g/mol, XLogP of 0.68, 3 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-7-yl)-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 104887813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).