2-(6,7,8,8a-tetrahydroquinolin-2-yl)guanidine

C10H14N4 — CID 69425172

IUPAC2-(6,7,8,8a-tetrahydroquinolin-2-yl)guanidine
SMILESNC(N)=NC1=NC2CCCC=C2C=C1
InChIInChI=1S/C10H14N4/c11-10(12)14-9-6-5-7-3-1-2-4-8(7)13-9/h3,5-6,8H,1-2,4H2,(H4,11,12,13,14)
InChIKeySHYCCWDMSZPHBZ-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.71
Rot. Bonds

About 2-(6,7,8,8a-tetrahydroquinolin-2-yl)guanidine

2-(6,7,8,8a-tetrahydroquinolin-2-yl)guanidine (PubChem CID 69425172) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-(6,7,8,8a-tetrahydroquinolin-2-yl)guanidine.

Molecular Properties

Compound Name2-(6,7,8,8a-tetrahydroquinolin-2-yl)guanidine
PubChem CID69425172
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name2-(6,7,8,8a-tetrahydroquinolin-2-yl)guanidine
SMILESNC(N)=NC1=NC2CCCC=C2C=C1
InChIInChI=1S/C10H14N4/c11-10(12)14-9-6-5-7-3-1-2-4-8(7)13-9/h3,5-6,8H,1-2,4H2,(H4,11,12,13,14)
InChIKeySHYCCWDMSZPHBZ-UHFFFAOYSA-N
XLogP0.71
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.71
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 2-(6,7,8,8a-tetrahydroquinolin-2-yl)guanidine?
The IUPAC name of 2-(6,7,8,8a-tetrahydroquinolin-2-yl)guanidine (CID 69425172) is 2-(6,7,8,8a-tetrahydroquinolin-2-yl)guanidine.
What is the SMILES notation for 2-(6,7,8,8a-tetrahydroquinolin-2-yl)guanidine?
The canonical SMILES for 2-(6,7,8,8a-tetrahydroquinolin-2-yl)guanidine is NC(N)=NC1=NC2CCCC=C2C=C1.
What is the InChIKey of 2-(6,7,8,8a-tetrahydroquinolin-2-yl)guanidine?
The InChIKey is SHYCCWDMSZPHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c11-10(12)14-9-6-5-7-3-1-2-4-8(7)13-9/h3,5-6,8H,1-2,4H2,(H4,11,12,13,14).
What are the key properties of 2-(6,7,8,8a-tetrahydroquinolin-2-yl)guanidine?
2-(6,7,8,8a-tetrahydroquinolin-2-yl)guanidine has a molecular weight of 190.25 g/mol, XLogP of 0.71, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7,8,8a-tetrahydroquinolin-2-yl)guanidine is sourced from PubChem (CID 69425172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).