4,8-dimethylnaphthalene-1,5-diamine;ethane

C16H26N2 — CID 143882753

IUPAC4,8-dimethylnaphthalene-1,5-diamine;ethane
SMILESCC.CC.Cc1ccc(N)c2c(C)ccc(N)c12
InChIInChI=1S/C12H14N2.2C2H6/c1-7-3-5-10(14)12-8(2)4-6-9(13)11(7)12;2*1-2/h3-6H,13-14H2,1-2H3;2*1-2H3
InChIKeyUQHAECUTYMWIGE-UHFFFAOYSA-N
MW246.40 g/mol
LogP4.67
Rot. Bonds

About 4,8-dimethylnaphthalene-1,5-diamine;ethane

4,8-dimethylnaphthalene-1,5-diamine;ethane (PubChem CID 143882753) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4,8-dimethylnaphthalene-1,5-diamine;ethane.

Molecular Properties

Compound Name4,8-dimethylnaphthalene-1,5-diamine;ethane
PubChem CID143882753
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4,8-dimethylnaphthalene-1,5-diamine;ethane
SMILESCC.CC.Cc1ccc(N)c2c(C)ccc(N)c12
InChIInChI=1S/C12H14N2.2C2H6/c1-7-3-5-10(14)12-8(2)4-6-9(13)11(7)12;2*1-2/h3-6H,13-14H2,1-2H3;2*1-2H3
InChIKeyUQHAECUTYMWIGE-UHFFFAOYSA-N
XLogP4.67
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.67
H-Bond Donors ≤ 52
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 4,8-dimethylnaphthalene-1,5-diamine;ethane?
The IUPAC name of 4,8-dimethylnaphthalene-1,5-diamine;ethane (CID 143882753) is 4,8-dimethylnaphthalene-1,5-diamine;ethane.
What is the SMILES notation for 4,8-dimethylnaphthalene-1,5-diamine;ethane?
The canonical SMILES for 4,8-dimethylnaphthalene-1,5-diamine;ethane is CC.CC.Cc1ccc(N)c2c(C)ccc(N)c12.
What is the InChIKey of 4,8-dimethylnaphthalene-1,5-diamine;ethane?
The InChIKey is UQHAECUTYMWIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.2C2H6/c1-7-3-5-10(14)12-8(2)4-6-9(13)11(7)12;2*1-2/h3-6H,13-14H2,1-2H3;2*1-2H3.
What are the key properties of 4,8-dimethylnaphthalene-1,5-diamine;ethane?
4,8-dimethylnaphthalene-1,5-diamine;ethane has a molecular weight of 246.40 g/mol, XLogP of 4.67, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethylnaphthalene-1,5-diamine;ethane is sourced from PubChem (CID 143882753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).