6-imino-7,8-dihydro-5H-naphthalen-1-amine

C10H12N2 — CID 57238586

IUPAC6-imino-7,8-dihydro-5H-naphthalen-1-amine
SMILES[H]/N=C1\CCc2c(N)cccc2C1
InChIInChI=1S/C10H12N2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h1-3,11H,4-6,12H2/b11-8+
InChIKeyHTXNDTFBWOYVBK-DHZHZOJOSA-N
MW160.22 g/mol
LogP1.78
Rot. Bonds

About 6-imino-7,8-dihydro-5H-naphthalen-1-amine

6-imino-7,8-dihydro-5H-naphthalen-1-amine (PubChem CID 57238586) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 6-imino-7,8-dihydro-5H-naphthalen-1-amine.

Molecular Properties

Compound Name6-imino-7,8-dihydro-5H-naphthalen-1-amine
PubChem CID57238586
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name6-imino-7,8-dihydro-5H-naphthalen-1-amine
SMILES[H]/N=C1\CCc2c(N)cccc2C1
InChIInChI=1S/C10H12N2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h1-3,11H,4-6,12H2/b11-8+
InChIKeyHTXNDTFBWOYVBK-DHZHZOJOSA-N
XLogP1.78
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-imino-7,8-dihydro-5H-naphthalen-1-amine?
The IUPAC name of 6-imino-7,8-dihydro-5H-naphthalen-1-amine (CID 57238586) is 6-imino-7,8-dihydro-5H-naphthalen-1-amine.
What is the SMILES notation for 6-imino-7,8-dihydro-5H-naphthalen-1-amine?
The canonical SMILES for 6-imino-7,8-dihydro-5H-naphthalen-1-amine is [H]/N=C1\CCc2c(N)cccc2C1.
What is the InChIKey of 6-imino-7,8-dihydro-5H-naphthalen-1-amine?
The InChIKey is HTXNDTFBWOYVBK-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H12N2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h1-3,11H,4-6,12H2/b11-8+.
What are the key properties of 6-imino-7,8-dihydro-5H-naphthalen-1-amine?
6-imino-7,8-dihydro-5H-naphthalen-1-amine has a molecular weight of 160.22 g/mol, XLogP of 1.78, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-7,8-dihydro-5H-naphthalen-1-amine is sourced from PubChem (CID 57238586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).