6-iminophenalen-1-amine

C13H10N2 — CID 4568516

IUPAC6-iminophenalen-1-amine
SMILES[H]/N=C1\C=Cc2ccc(N)c3cccc1c23
InChIInChI=1S/C13H10N2/c14-11-6-4-8-5-7-12(15)10-3-1-2-9(11)13(8)10/h1-7,14H,15H2/b14-11+
InChIKeyIPXJBIPEQODDPF-SDNWHVSQSA-N
MW194.24 g/mol
LogP2.82
Rot. Bonds

About 6-iminophenalen-1-amine

6-iminophenalen-1-amine (PubChem CID 4568516) has the molecular formula C13H10N2 and a molecular weight of 194.24 g/mol. Its IUPAC name is 6-iminophenalen-1-amine.

Molecular Properties

Compound Name6-iminophenalen-1-amine
PubChem CID4568516
Molecular FormulaC13H10N2
Molecular Weight194.24 g/mol
Exact Mass194.08
IUPAC Name6-iminophenalen-1-amine
SMILES[H]/N=C1\C=Cc2ccc(N)c3cccc1c23
InChIInChI=1S/C13H10N2/c14-11-6-4-8-5-7-12(15)10-3-1-2-9(11)13(8)10/h1-7,14H,15H2/b14-11+
InChIKeyIPXJBIPEQODDPF-SDNWHVSQSA-N
XLogP2.82
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_ene_one_C(1)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-iminophenalen-1-amine?
The IUPAC name of 6-iminophenalen-1-amine (CID 4568516) is 6-iminophenalen-1-amine.
What is the SMILES notation for 6-iminophenalen-1-amine?
The canonical SMILES for 6-iminophenalen-1-amine is [H]/N=C1\C=Cc2ccc(N)c3cccc1c23.
What is the InChIKey of 6-iminophenalen-1-amine?
The InChIKey is IPXJBIPEQODDPF-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H10N2/c14-11-6-4-8-5-7-12(15)10-3-1-2-9(11)13(8)10/h1-7,14H,15H2/b14-11+.
What are the key properties of 6-iminophenalen-1-amine?
6-iminophenalen-1-amine has a molecular weight of 194.24 g/mol, XLogP of 2.82, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iminophenalen-1-amine is sourced from PubChem (CID 4568516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).