3,8-dimethylpyrene-1,6-diamine

C18H16N2 — CID 163838926

IUPAC3,8-dimethylpyrene-1,6-diamine
SMILESCc1cc(N)c2ccc3c(C)cc(N)c4ccc1c2c34
InChIInChI=1S/C18H16N2/c1-9-7-15(19)13-6-4-12-10(2)8-16(20)14-5-3-11(9)17(13)18(12)14/h3-8H,19-20H2,1-2H3
InChIKeyOKESOCNUNCEEGD-UHFFFAOYSA-N
MW260.34 g/mol
LogP4.37
Rot. Bonds

About 3,8-dimethylpyrene-1,6-diamine

3,8-dimethylpyrene-1,6-diamine (PubChem CID 163838926) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3,8-dimethylpyrene-1,6-diamine.

Molecular Properties

Compound Name3,8-dimethylpyrene-1,6-diamine
PubChem CID163838926
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name3,8-dimethylpyrene-1,6-diamine
SMILESCc1cc(N)c2ccc3c(C)cc(N)c4ccc1c2c34
InChIInChI=1S/C18H16N2/c1-9-7-15(19)13-6-4-12-10(2)8-16(20)14-5-3-11(9)17(13)18(12)14/h3-8H,19-20H2,1-2H3
InChIKeyOKESOCNUNCEEGD-UHFFFAOYSA-N
XLogP4.37
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1,8-dimethyl-3,6-dimethylidenepyrene
CID 58370643
4-methylnaphthalene-1,2,8-triamine
CID 57467784
5-methylpyren-1-amine
CID 23131220
1,4-dimethylnaphthalene-2,6-diamine
CID 139601162
3,6,8-trimethylpyren-1-ol
CID 154487222
1,6-ditert-butyl-3,8-dimethylpyrene
CID 59510192
4,10-dimethylpyrene
CID 91667650
1,4,5,8-tetramethylphenanthrene
CID 14619660
pyren-1-amine;pyrene-1,3-diamine;pyrene-1,6-diamine;pyrene-1,8-diamine
CID 175402648
7-tert-butyl-1,3-dimethylpyrene
CID 10446723
1-N,1-N,6-N,6-N-tetraethyl-3,8-dimethylpyrene-1,6-diamine
CID 58322895
CID 89339872
CID 89339872

Frequently Asked Questions

What is the IUPAC name of 3,8-dimethylpyrene-1,6-diamine?
The IUPAC name of 3,8-dimethylpyrene-1,6-diamine (CID 163838926) is 3,8-dimethylpyrene-1,6-diamine.
What is the SMILES notation for 3,8-dimethylpyrene-1,6-diamine?
The canonical SMILES for 3,8-dimethylpyrene-1,6-diamine is Cc1cc(N)c2ccc3c(C)cc(N)c4ccc1c2c34.
What is the InChIKey of 3,8-dimethylpyrene-1,6-diamine?
The InChIKey is OKESOCNUNCEEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-9-7-15(19)13-6-4-12-10(2)8-16(20)14-5-3-11(9)17(13)18(12)14/h3-8H,19-20H2,1-2H3.
What are the key properties of 3,8-dimethylpyrene-1,6-diamine?
3,8-dimethylpyrene-1,6-diamine has a molecular weight of 260.34 g/mol, XLogP of 4.37, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethylpyrene-1,6-diamine is sourced from PubChem (CID 163838926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).