2-imino-7,8-dihydro-6H-acenaphthylen-1-amine

C12H12N2 — CID 155920338

IUPAC2-imino-7,8-dihydro-6H-acenaphthylen-1-amine
SMILES[H]/N=C1/C(N)=C2CCCc3cccc1c32
InChIInChI=1S/C12H12N2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1,3,5H,2,4,6H2,(H3,13,14)
InChIKeyOCYWJJDKPRNVLW-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.07
Rot. Bonds

About 2-imino-7,8-dihydro-6H-acenaphthylen-1-amine

2-imino-7,8-dihydro-6H-acenaphthylen-1-amine (PubChem CID 155920338) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-imino-7,8-dihydro-6H-acenaphthylen-1-amine.

Molecular Properties

Compound Name2-imino-7,8-dihydro-6H-acenaphthylen-1-amine
PubChem CID155920338
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name2-imino-7,8-dihydro-6H-acenaphthylen-1-amine
SMILES[H]/N=C1/C(N)=C2CCCc3cccc1c32
InChIInChI=1S/C12H12N2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1,3,5H,2,4,6H2,(H3,13,14)
InChIKeyOCYWJJDKPRNVLW-UHFFFAOYSA-N
XLogP2.07
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-imino-7,8-dihydro-6H-acenaphthylen-1-amine?
The IUPAC name of 2-imino-7,8-dihydro-6H-acenaphthylen-1-amine (CID 155920338) is 2-imino-7,8-dihydro-6H-acenaphthylen-1-amine.
What is the SMILES notation for 2-imino-7,8-dihydro-6H-acenaphthylen-1-amine?
The canonical SMILES for 2-imino-7,8-dihydro-6H-acenaphthylen-1-amine is [H]/N=C1/C(N)=C2CCCc3cccc1c32.
What is the InChIKey of 2-imino-7,8-dihydro-6H-acenaphthylen-1-amine?
The InChIKey is OCYWJJDKPRNVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1,3,5H,2,4,6H2,(H3,13,14).
What are the key properties of 2-imino-7,8-dihydro-6H-acenaphthylen-1-amine?
2-imino-7,8-dihydro-6H-acenaphthylen-1-amine has a molecular weight of 184.24 g/mol, XLogP of 2.07, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-7,8-dihydro-6H-acenaphthylen-1-amine is sourced from PubChem (CID 155920338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).