pyrene-2-carboximidamide

C17H12N2 — CID 151524830

IUPACpyrene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc2ccc3cccc4ccc(c1)c2c34
InChIInChI=1S/C17H12N2/c18-17(19)14-8-12-6-4-10-2-1-3-11-5-7-13(9-14)16(12)15(10)11/h1-9H,(H3,18,19)
InChIKeyPVFPUQNXVIUJOC-UHFFFAOYSA-N
MW244.30 g/mol
LogP3.87
Rot. Bonds1

About pyrene-2-carboximidamide

pyrene-2-carboximidamide (PubChem CID 151524830) has the molecular formula C17H12N2 and a molecular weight of 244.30 g/mol. Its IUPAC name is pyrene-2-carboximidamide.

Molecular Properties

Compound Namepyrene-2-carboximidamide
PubChem CID151524830
Molecular FormulaC17H12N2
Molecular Weight244.30 g/mol
Exact Mass244.10
IUPAC Namepyrene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc2ccc3cccc4ccc(c1)c2c34
InChIInChI=1S/C17H12N2/c18-17(19)14-8-12-6-4-10-2-1-3-11-5-7-13(9-14)16(12)15(10)11/h1-9H,(H3,18,19)
InChIKeyPVFPUQNXVIUJOC-UHFFFAOYSA-N
XLogP3.87
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 53.87
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

7-[3-(4-carbamimidoylphenyl)phenyl]naphthalene-2-carboximidamide
CID 164611720
3-[7-(3-carbamimidoylphenyl)naphthalen-2-yl]benzenecarboximidamide
CID 10338813
6,7-dibromonaphthalene-2-carboximidamide
CID 121232083
8-(iodoamino)naphthalene-2-carboximidamide
CID 142064804
6,7-dibromonaphthalene-2-carboximidamide;hydrochloride
CID 121232084
3-sulfanylbenzenecarboximidamide
CID 69159686
benzenecarboximidamide;sulfane
CID 172701796
6-methoxynaphthalene-2-carboximidamide
CID 3274917
N-(4-carbamimidoylphenyl)naphthalene-2-carboxamide
CID 151305092
5-(2,2-dimethylpropoxy)naphthalene-2-carboximidamide
CID 159127803
6-propan-2-ylnaphthalene-2-carboximidamide
CID 138525860
pyridine-2,6-dicarboximidamide
CID 23373306

Frequently Asked Questions

What is the IUPAC name of pyrene-2-carboximidamide?
The IUPAC name of pyrene-2-carboximidamide (CID 151524830) is pyrene-2-carboximidamide.
What is the SMILES notation for pyrene-2-carboximidamide?
The canonical SMILES for pyrene-2-carboximidamide is [H]/N=C(\N)c1cc2ccc3cccc4ccc(c1)c2c34.
What is the InChIKey of pyrene-2-carboximidamide?
The InChIKey is PVFPUQNXVIUJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2/c18-17(19)14-8-12-6-4-10-2-1-3-11-5-7-13(9-14)16(12)15(10)11/h1-9H,(H3,18,19).
What are the key properties of pyrene-2-carboximidamide?
pyrene-2-carboximidamide has a molecular weight of 244.30 g/mol, XLogP of 3.87, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyrene-2-carboximidamide is sourced from PubChem (CID 151524830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).