6-methylnaphthalene-1,2,4,5,8-pentamine

C11H15N5 — CID 167260619

IUPAC6-methylnaphthalene-1,2,4,5,8-pentamine
SMILESCc1cc(N)c2c(N)c(N)cc(N)c2c1N
InChIInChI=1S/C11H15N5/c1-4-2-5(12)9-8(10(4)15)6(13)3-7(14)11(9)16/h2-3H,12-16H2,1H3
InChIKeyFFYILKQKZQJJHJ-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.06
Rot. Bonds

About 6-methylnaphthalene-1,2,4,5,8-pentamine

6-methylnaphthalene-1,2,4,5,8-pentamine (PubChem CID 167260619) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 6-methylnaphthalene-1,2,4,5,8-pentamine.

Molecular Properties

Compound Name6-methylnaphthalene-1,2,4,5,8-pentamine
PubChem CID167260619
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name6-methylnaphthalene-1,2,4,5,8-pentamine
SMILESCc1cc(N)c2c(N)c(N)cc(N)c2c1N
InChIInChI=1S/C11H15N5/c1-4-2-5(12)9-8(10(4)15)6(13)3-7(14)11(9)16/h2-3H,12-16H2,1H3
InChIKeyFFYILKQKZQJJHJ-UHFFFAOYSA-N
XLogP1.06
TPSA130.10 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methylnaphthalene-1,2,8-triamine
CID 57467784
2,3,5-trimethylbenzene-1,4-diamine;hydrochloride
CID 87071564
5-ethyl-3-methylbenzene-1,2-diamine
CID 67923702
2-methyl-9H-carbazole-1,4-diamine
CID 68823015
cobalt;2,4,6-trimethylaniline
CID 159454360
bis(4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline);dihydrochloride
CID 69109128
4-(4-amino-2,5-dimethylphenyl)-2,6-dimethylaniline
CID 54482332
3-methyldibenzofuran-1,4-diamine
CID 68822096
2-methyldibenzothiophene-1,4-diamine
CID 68825684
3,8-dimethylpyrene-1,6-diamine
CID 163838926
2-methoxy-3,5-dimethylbenzene-1,4-diamine;dihydrochloride
CID 19003912
3-ethyl-2,5-dimethylbenzene-1,4-diamine;hydrochloride
CID 87710202

Frequently Asked Questions

What is the IUPAC name of 6-methylnaphthalene-1,2,4,5,8-pentamine?
The IUPAC name of 6-methylnaphthalene-1,2,4,5,8-pentamine (CID 167260619) is 6-methylnaphthalene-1,2,4,5,8-pentamine.
What is the SMILES notation for 6-methylnaphthalene-1,2,4,5,8-pentamine?
The canonical SMILES for 6-methylnaphthalene-1,2,4,5,8-pentamine is Cc1cc(N)c2c(N)c(N)cc(N)c2c1N.
What is the InChIKey of 6-methylnaphthalene-1,2,4,5,8-pentamine?
The InChIKey is FFYILKQKZQJJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-4-2-5(12)9-8(10(4)15)6(13)3-7(14)11(9)16/h2-3H,12-16H2,1H3.
What are the key properties of 6-methylnaphthalene-1,2,4,5,8-pentamine?
6-methylnaphthalene-1,2,4,5,8-pentamine has a molecular weight of 217.28 g/mol, XLogP of 1.06, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylnaphthalene-1,2,4,5,8-pentamine is sourced from PubChem (CID 167260619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).