2-(2-ethylhexyl)guanidine;hydrochloride

C9H22ClN3 — CID 3015407

IUPAC2-(2-ethylhexyl)guanidine;hydrochloride
SMILESCCCCC(CC)CN=C(N)N.Cl
InChIInChI=1S/C9H21N3.ClH/c1-3-5-6-8(4-2)7-12-9(10)11;/h8H,3-7H2,1-2H3,(H4,10,11,12);1H
InChIKeyZCSNOAXWZIPUHZ-UHFFFAOYSA-N
MW207.75 g/mol
LogP1.90
Rot. Bonds6

About 2-(2-ethylhexyl)guanidine;hydrochloride

2-(2-ethylhexyl)guanidine;hydrochloride (PubChem CID 3015407) has the molecular formula C9H22ClN3 and a molecular weight of 207.75 g/mol. Its IUPAC name is 2-(2-ethylhexyl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(2-ethylhexyl)guanidine;hydrochloride
PubChem CID3015407
Molecular FormulaC9H22ClN3
Molecular Weight207.75 g/mol
Exact Mass207.15
IUPAC Name2-(2-ethylhexyl)guanidine;hydrochloride
SMILESCCCCC(CC)CN=C(N)N.Cl
InChIInChI=1S/C9H21N3.ClH/c1-3-5-6-8(4-2)7-12-9(10)11;/h8H,3-7H2,1-2H3,(H4,10,11,12);1H
InChIKeyZCSNOAXWZIPUHZ-UHFFFAOYSA-N
XLogP1.90
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.75
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-(2-ethylhexyl)guanidine;hydrochloride?
The IUPAC name of 2-(2-ethylhexyl)guanidine;hydrochloride (CID 3015407) is 2-(2-ethylhexyl)guanidine;hydrochloride.
What is the SMILES notation for 2-(2-ethylhexyl)guanidine;hydrochloride?
The canonical SMILES for 2-(2-ethylhexyl)guanidine;hydrochloride is CCCCC(CC)CN=C(N)N.Cl.
What is the InChIKey of 2-(2-ethylhexyl)guanidine;hydrochloride?
The InChIKey is ZCSNOAXWZIPUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3.ClH/c1-3-5-6-8(4-2)7-12-9(10)11;/h8H,3-7H2,1-2H3,(H4,10,11,12);1H.
What are the key properties of 2-(2-ethylhexyl)guanidine;hydrochloride?
2-(2-ethylhexyl)guanidine;hydrochloride has a molecular weight of 207.75 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexyl)guanidine;hydrochloride is sourced from PubChem (CID 3015407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).