2-methyl-1-(naphthalen-1-ylmethyl)guanidine

C13H15N3 — CID 3028499

IUPAC2-methyl-1-(naphthalen-1-ylmethyl)guanidine
SMILESC/N=C(\N)NCc1cccc2ccccc12
InChIInChI=1S/C13H15N3/c1-15-13(14)16-9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8H,9H2,1H3,(H3,14,15,16)
InChIKeyOXRHUHSQPIPNHV-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.87
Rot. Bonds2

About 2-methyl-1-(naphthalen-1-ylmethyl)guanidine

2-methyl-1-(naphthalen-1-ylmethyl)guanidine (PubChem CID 3028499) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-methyl-1-(naphthalen-1-ylmethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(naphthalen-1-ylmethyl)guanidine
PubChem CID3028499
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name2-methyl-1-(naphthalen-1-ylmethyl)guanidine
SMILESC/N=C(\N)NCc1cccc2ccccc12
InChIInChI=1S/C13H15N3/c1-15-13(14)16-9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8H,9H2,1H3,(H3,14,15,16)
InChIKeyOXRHUHSQPIPNHV-UHFFFAOYSA-N
XLogP1.87
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.87
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-methyl-1-(naphthalen-1-ylmethyl)guanidine?
The IUPAC name of 2-methyl-1-(naphthalen-1-ylmethyl)guanidine (CID 3028499) is 2-methyl-1-(naphthalen-1-ylmethyl)guanidine.
What is the SMILES notation for 2-methyl-1-(naphthalen-1-ylmethyl)guanidine?
The canonical SMILES for 2-methyl-1-(naphthalen-1-ylmethyl)guanidine is C/N=C(\N)NCc1cccc2ccccc12.
What is the InChIKey of 2-methyl-1-(naphthalen-1-ylmethyl)guanidine?
The InChIKey is OXRHUHSQPIPNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-15-13(14)16-9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8H,9H2,1H3,(H3,14,15,16).
What are the key properties of 2-methyl-1-(naphthalen-1-ylmethyl)guanidine?
2-methyl-1-(naphthalen-1-ylmethyl)guanidine has a molecular weight of 213.28 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(naphthalen-1-ylmethyl)guanidine is sourced from PubChem (CID 3028499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).