2-octadecylguanidine;hydrochloride

C19H42ClN3 — CID 71436262

IUPAC2-octadecylguanidine;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCN=C(N)N.Cl
InChIInChI=1S/C19H41N3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19(20)21;/h2-18H2,1H3,(H4,20,21,22);1H
InChIKeyWPUFMGPAQNCUGT-UHFFFAOYSA-N
MW348.02 g/mol
LogP5.94
Rot. Bonds17

About 2-octadecylguanidine;hydrochloride

2-octadecylguanidine;hydrochloride (PubChem CID 71436262) has the molecular formula C19H42ClN3 and a molecular weight of 348.02 g/mol. Its IUPAC name is 2-octadecylguanidine;hydrochloride.

Molecular Properties

Compound Name2-octadecylguanidine;hydrochloride
PubChem CID71436262
Molecular FormulaC19H42ClN3
Molecular Weight348.02 g/mol
Exact Mass347.31
IUPAC Name2-octadecylguanidine;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCN=C(N)N.Cl
InChIInChI=1S/C19H41N3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19(20)21;/h2-18H2,1H3,(H4,20,21,22);1H
InChIKeyWPUFMGPAQNCUGT-UHFFFAOYSA-N
XLogP5.94
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.02
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-octadecylguanidine;hydrochloride?
The IUPAC name of 2-octadecylguanidine;hydrochloride (CID 71436262) is 2-octadecylguanidine;hydrochloride.
What is the SMILES notation for 2-octadecylguanidine;hydrochloride?
The canonical SMILES for 2-octadecylguanidine;hydrochloride is CCCCCCCCCCCCCCCCCCN=C(N)N.Cl.
What is the InChIKey of 2-octadecylguanidine;hydrochloride?
The InChIKey is WPUFMGPAQNCUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19(20)21;/h2-18H2,1H3,(H4,20,21,22);1H.
What are the key properties of 2-octadecylguanidine;hydrochloride?
2-octadecylguanidine;hydrochloride has a molecular weight of 348.02 g/mol, XLogP of 5.94, 17 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octadecylguanidine;hydrochloride is sourced from PubChem (CID 71436262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).