2-(naphthalen-1-ylmethyl)guanidine;hydrochloride

C12H14ClN3 — CID 54602734

IUPAC2-(naphthalen-1-ylmethyl)guanidine;hydrochloride
SMILESCl.NC(N)=NCc1cccc2ccccc12
InChIInChI=1S/C12H13N3.ClH/c13-12(14)15-8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H4,13,14,15);1H
InChIKeyNTSSUHAQSUMJCK-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.04
Rot. Bonds2

About 2-(naphthalen-1-ylmethyl)guanidine;hydrochloride

2-(naphthalen-1-ylmethyl)guanidine;hydrochloride (PubChem CID 54602734) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethyl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethyl)guanidine;hydrochloride
PubChem CID54602734
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name2-(naphthalen-1-ylmethyl)guanidine;hydrochloride
SMILESCl.NC(N)=NCc1cccc2ccccc12
InChIInChI=1S/C12H13N3.ClH/c13-12(14)15-8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H4,13,14,15);1H
InChIKeyNTSSUHAQSUMJCK-UHFFFAOYSA-N
XLogP2.04
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.04
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-(naphthalen-1-ylmethyl)guanidine;hydrochloride?
The IUPAC name of 2-(naphthalen-1-ylmethyl)guanidine;hydrochloride (CID 54602734) is 2-(naphthalen-1-ylmethyl)guanidine;hydrochloride.
What is the SMILES notation for 2-(naphthalen-1-ylmethyl)guanidine;hydrochloride?
The canonical SMILES for 2-(naphthalen-1-ylmethyl)guanidine;hydrochloride is Cl.NC(N)=NCc1cccc2ccccc12.
What is the InChIKey of 2-(naphthalen-1-ylmethyl)guanidine;hydrochloride?
The InChIKey is NTSSUHAQSUMJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3.ClH/c13-12(14)15-8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H4,13,14,15);1H.
What are the key properties of 2-(naphthalen-1-ylmethyl)guanidine;hydrochloride?
2-(naphthalen-1-ylmethyl)guanidine;hydrochloride has a molecular weight of 235.72 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylmethyl)guanidine;hydrochloride is sourced from PubChem (CID 54602734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).