2-(8-aminooctyl)guanidine

C9H22N4 — CID 10035350

IUPAC2-(8-aminooctyl)guanidine
SMILESNCCCCCCCCN=C(N)N
InChIInChI=1S/C9H22N4/c10-7-5-3-1-2-4-6-8-13-9(11)12/h1-8,10H2,(H4,11,12,13)
InChIKeyXHTVDMDQVFYPOY-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.56
Rot. Bonds8

About 2-(8-aminooctyl)guanidine

2-(8-aminooctyl)guanidine (PubChem CID 10035350) has the molecular formula C9H22N4 and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-(8-aminooctyl)guanidine.

Molecular Properties

Compound Name2-(8-aminooctyl)guanidine
PubChem CID10035350
Molecular FormulaC9H22N4
Molecular Weight186.30 g/mol
Exact Mass186.18
IUPAC Name2-(8-aminooctyl)guanidine
SMILESNCCCCCCCCN=C(N)N
InChIInChI=1S/C9H22N4/c10-7-5-3-1-2-4-6-8-13-9(11)12/h1-8,10H2,(H4,11,12,13)
InChIKeyXHTVDMDQVFYPOY-UHFFFAOYSA-N
XLogP0.56
TPSA90.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(8-aminooctyl)guanidine?
The IUPAC name of 2-(8-aminooctyl)guanidine (CID 10035350) is 2-(8-aminooctyl)guanidine.
What is the SMILES notation for 2-(8-aminooctyl)guanidine?
The canonical SMILES for 2-(8-aminooctyl)guanidine is NCCCCCCCCN=C(N)N.
What is the InChIKey of 2-(8-aminooctyl)guanidine?
The InChIKey is XHTVDMDQVFYPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4/c10-7-5-3-1-2-4-6-8-13-9(11)12/h1-8,10H2,(H4,11,12,13).
What are the key properties of 2-(8-aminooctyl)guanidine?
2-(8-aminooctyl)guanidine has a molecular weight of 186.30 g/mol, XLogP of 0.56, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-aminooctyl)guanidine is sourced from PubChem (CID 10035350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).