2-N,2-N,3-trimethylnaphthalene-2,6-diamine

C13H16N2 — CID 139621315

IUPAC2-N,2-N,3-trimethylnaphthalene-2,6-diamine
SMILESCc1cc2cc(N)ccc2cc1N(C)C
InChIInChI=1S/C13H16N2/c1-9-6-11-7-12(14)5-4-10(11)8-13(9)15(2)3/h4-8H,14H2,1-3H3
InChIKeyOQIKOBLAXBBGRH-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.80
Rot. Bonds1

About 2-N,2-N,3-trimethylnaphthalene-2,6-diamine

2-N,2-N,3-trimethylnaphthalene-2,6-diamine (PubChem CID 139621315) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-N,2-N,3-trimethylnaphthalene-2,6-diamine.

Molecular Properties

Compound Name2-N,2-N,3-trimethylnaphthalene-2,6-diamine
PubChem CID139621315
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name2-N,2-N,3-trimethylnaphthalene-2,6-diamine
SMILESCc1cc2cc(N)ccc2cc1N(C)C
InChIInChI=1S/C13H16N2/c1-9-6-11-7-12(14)5-4-10(11)8-13(9)15(2)3/h4-8H,14H2,1-3H3
InChIKeyOQIKOBLAXBBGRH-UHFFFAOYSA-N
XLogP2.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,3-trimethylnaphthalene-2,6-diamine?
The IUPAC name of 2-N,2-N,3-trimethylnaphthalene-2,6-diamine (CID 139621315) is 2-N,2-N,3-trimethylnaphthalene-2,6-diamine.
What is the SMILES notation for 2-N,2-N,3-trimethylnaphthalene-2,6-diamine?
The canonical SMILES for 2-N,2-N,3-trimethylnaphthalene-2,6-diamine is Cc1cc2cc(N)ccc2cc1N(C)C.
What is the InChIKey of 2-N,2-N,3-trimethylnaphthalene-2,6-diamine?
The InChIKey is OQIKOBLAXBBGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-9-6-11-7-12(14)5-4-10(11)8-13(9)15(2)3/h4-8H,14H2,1-3H3.
What are the key properties of 2-N,2-N,3-trimethylnaphthalene-2,6-diamine?
2-N,2-N,3-trimethylnaphthalene-2,6-diamine has a molecular weight of 200.28 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,3-trimethylnaphthalene-2,6-diamine is sourced from PubChem (CID 139621315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).