3-methanimidoyl-N'-methylnaphthalene-2-carboximidamide

C13H13N3 — CID 143752649

IUPAC3-methanimidoyl-N'-methylnaphthalene-2-carboximidamide
SMILES[H]/N=C/c1cc2ccccc2cc1/C(N)=N/C
InChIInChI=1S/C13H13N3/c1-16-13(15)12-7-10-5-3-2-4-9(10)6-11(12)8-14/h2-8,14H,1H3,(H2,15,16)/b14-8+
InChIKeyRZKIDFARAISVRV-RIYZIHGNSA-N
MW211.27 g/mol
LogP2.17
Rot. Bonds2

About 3-methanimidoyl-N'-methylnaphthalene-2-carboximidamide

3-methanimidoyl-N'-methylnaphthalene-2-carboximidamide (PubChem CID 143752649) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 3-methanimidoyl-N'-methylnaphthalene-2-carboximidamide.

Molecular Properties

Compound Name3-methanimidoyl-N'-methylnaphthalene-2-carboximidamide
PubChem CID143752649
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name3-methanimidoyl-N'-methylnaphthalene-2-carboximidamide
SMILES[H]/N=C/c1cc2ccccc2cc1/C(N)=N/C
InChIInChI=1S/C13H13N3/c1-16-13(15)12-7-10-5-3-2-4-9(10)6-11(12)8-14/h2-8,14H,1H3,(H2,15,16)/b14-8+
InChIKeyRZKIDFARAISVRV-RIYZIHGNSA-N
XLogP2.17
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-methanimidoyl-N'-methylnaphthalene-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methanimidoylbenzamide
CID 123272130
2-methoxy-N'-methylbenzenecarboximidamide
CID 63181922
2-chloro-N'-methylbenzenecarboximidamide;hydrochloride
CID 110209427
ethene;N'-methylbenzenecarboximidamide
CID 142294327
3-methanehydrazonoylnaphthalen-2-ol
CID 915671
CID 70080980
CID 70080980
3-hydroxynaphthalene-2-carboxamide
CID 19317
[3-[2-methyl-1-(3-methylcyclopenta-1,3-dien-1-yl)propan-2-yl]naphthalen-2-yl]methanimine
CID 91005986
N-(4-amino-3-methanimidoylphenyl)-N',2-dimethylbenzenecarboximidamide;3-methylidenepentane
CID 167447359
2-methanimidoyl-4-methoxyaniline
CID 91224663
(2-ethylphenyl)methanimine
CID 58827978
N-(2-methanimidoylphenyl)hydroxylamine
CID 143516633

Frequently Asked Questions

What is the IUPAC name of 3-methanimidoyl-N'-methylnaphthalene-2-carboximidamide?
The IUPAC name of 3-methanimidoyl-N'-methylnaphthalene-2-carboximidamide (CID 143752649) is 3-methanimidoyl-N'-methylnaphthalene-2-carboximidamide.
What is the SMILES notation for 3-methanimidoyl-N'-methylnaphthalene-2-carboximidamide?
The canonical SMILES for 3-methanimidoyl-N'-methylnaphthalene-2-carboximidamide is [H]/N=C/c1cc2ccccc2cc1/C(N)=N/C.
What is the InChIKey of 3-methanimidoyl-N'-methylnaphthalene-2-carboximidamide?
The InChIKey is RZKIDFARAISVRV-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H13N3/c1-16-13(15)12-7-10-5-3-2-4-9(10)6-11(12)8-14/h2-8,14H,1H3,(H2,15,16)/b14-8+.
What are the key properties of 3-methanimidoyl-N'-methylnaphthalene-2-carboximidamide?
3-methanimidoyl-N'-methylnaphthalene-2-carboximidamide has a molecular weight of 211.27 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methanimidoyl-N'-methylnaphthalene-2-carboximidamide is sourced from PubChem (CID 143752649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).