2-(naphthalen-1-ylmethyl)guanidine

C12H13N3 — CID 22409

IUPAC2-(naphthalen-1-ylmethyl)guanidine
SMILESNC(N)=NCc1cccc2ccccc12
InChIInChI=1S/C12H13N3/c13-12(14)15-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H4,13,14,15)
InChIKeyHNCIJEQEYCRDJX-UHFFFAOYSA-N
MW199.26 g/mol
LogP1.61
Rot. Bonds2

About 2-(naphthalen-1-ylmethyl)guanidine

2-(naphthalen-1-ylmethyl)guanidine (PubChem CID 22409) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethyl)guanidine.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethyl)guanidine
PubChem CID22409
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name2-(naphthalen-1-ylmethyl)guanidine
SMILESNC(N)=NCc1cccc2ccccc12
InChIInChI=1S/C12H13N3/c13-12(14)15-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H4,13,14,15)
InChIKeyHNCIJEQEYCRDJX-UHFFFAOYSA-N
XLogP1.61
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 51.61
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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Related Compounds

1-(1-Naphthyl)ethylamine
CID 98089
1-Naphthalenemethanamine
CID 8355
1,3-Diiminobenz(f)isoindoline
CID 171660
beta-Naphthamidine
CID 193409
N-Methyl-N-naphthylmethylamine
CID 84474
3,4-Dihydro-isoquinolin-1-ylamine
CID 9793824
1-Naphthaleneethanamine
CID 20853
9-Anthracenemethanamine
CID 11085034
1-(2-Naphthyl)methanamine
CID 137282
1-Naphthalenemethyl isothiocyanate
CID 140182
Methyl[(naphthalen-2-yl)methyl]amine
CID 541935
1-Naphthalenemethanamine, alpha-methyl-, (alphaS)-
CID 66325

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylmethyl)guanidine?
The IUPAC name of 2-(naphthalen-1-ylmethyl)guanidine (CID 22409) is 2-(naphthalen-1-ylmethyl)guanidine.
What is the SMILES notation for 2-(naphthalen-1-ylmethyl)guanidine?
The canonical SMILES for 2-(naphthalen-1-ylmethyl)guanidine is NC(N)=NCc1cccc2ccccc12.
What is the InChIKey of 2-(naphthalen-1-ylmethyl)guanidine?
The InChIKey is HNCIJEQEYCRDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c13-12(14)15-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H4,13,14,15).
What are the key properties of 2-(naphthalen-1-ylmethyl)guanidine?
2-(naphthalen-1-ylmethyl)guanidine has a molecular weight of 199.26 g/mol, XLogP of 1.61, 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 is sourced from PubChem (CID 22409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).