4-methylnaphthalene-1,2,8-triamine

C11H13N3 — CID 57467784

IUPAC4-methylnaphthalene-1,2,8-triamine
SMILESCc1cc(N)c(N)c2c(N)cccc12
InChIInChI=1S/C11H13N3/c1-6-5-9(13)11(14)10-7(6)3-2-4-8(10)12/h2-5H,12-14H2,1H3
InChIKeyJVJVBWYGYZQEDH-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.89
Rot. Bonds

About 4-methylnaphthalene-1,2,8-triamine

4-methylnaphthalene-1,2,8-triamine (PubChem CID 57467784) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 4-methylnaphthalene-1,2,8-triamine.

Molecular Properties

Compound Name4-methylnaphthalene-1,2,8-triamine
PubChem CID57467784
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name4-methylnaphthalene-1,2,8-triamine
SMILESCc1cc(N)c(N)c2c(N)cccc12
InChIInChI=1S/C11H13N3/c1-6-5-9(13)11(14)10-7(6)3-2-4-8(10)12/h2-5H,12-14H2,1H3
InChIKeyJVJVBWYGYZQEDH-UHFFFAOYSA-N
XLogP1.89
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylnaphthalene-1,2,8-triamine?
The IUPAC name of 4-methylnaphthalene-1,2,8-triamine (CID 57467784) is 4-methylnaphthalene-1,2,8-triamine.
What is the SMILES notation for 4-methylnaphthalene-1,2,8-triamine?
The canonical SMILES for 4-methylnaphthalene-1,2,8-triamine is Cc1cc(N)c(N)c2c(N)cccc12.
What is the InChIKey of 4-methylnaphthalene-1,2,8-triamine?
The InChIKey is JVJVBWYGYZQEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-6-5-9(13)11(14)10-7(6)3-2-4-8(10)12/h2-5H,12-14H2,1H3.
What are the key properties of 4-methylnaphthalene-1,2,8-triamine?
4-methylnaphthalene-1,2,8-triamine has a molecular weight of 187.25 g/mol, XLogP of 1.89, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylnaphthalene-1,2,8-triamine is sourced from PubChem (CID 57467784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).