6-(4-methylphenyl)benzene-1,2,3,4,5-pentamine

C13H17N5 — CID 158961059

IUPAC6-(4-methylphenyl)benzene-1,2,3,4,5-pentamine
SMILESCc1ccc(-c2c(N)c(N)c(N)c(N)c2N)cc1
InChIInChI=1S/C13H17N5/c1-6-2-4-7(5-3-6)8-9(14)11(16)13(18)12(17)10(8)15/h2-5H,14-18H2,1H3
InChIKeyJMPZNNFLXAVQOQ-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.57
Rot. Bonds1

About 6-(4-methylphenyl)benzene-1,2,3,4,5-pentamine

6-(4-methylphenyl)benzene-1,2,3,4,5-pentamine (PubChem CID 158961059) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-(4-methylphenyl)benzene-1,2,3,4,5-pentamine.

Molecular Properties

Compound Name6-(4-methylphenyl)benzene-1,2,3,4,5-pentamine
PubChem CID158961059
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name6-(4-methylphenyl)benzene-1,2,3,4,5-pentamine
SMILESCc1ccc(-c2c(N)c(N)c(N)c(N)c2N)cc1
InChIInChI=1S/C13H17N5/c1-6-2-4-7(5-3-6)8-9(14)11(16)13(18)12(17)10(8)15/h2-5H,14-18H2,1H3
InChIKeyJMPZNNFLXAVQOQ-UHFFFAOYSA-N
XLogP1.57
TPSA130.10 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)benzene-1,2,3,4,5-pentamine?
The IUPAC name of 6-(4-methylphenyl)benzene-1,2,3,4,5-pentamine (CID 158961059) is 6-(4-methylphenyl)benzene-1,2,3,4,5-pentamine.
What is the SMILES notation for 6-(4-methylphenyl)benzene-1,2,3,4,5-pentamine?
The canonical SMILES for 6-(4-methylphenyl)benzene-1,2,3,4,5-pentamine is Cc1ccc(-c2c(N)c(N)c(N)c(N)c2N)cc1.
What is the InChIKey of 6-(4-methylphenyl)benzene-1,2,3,4,5-pentamine?
The InChIKey is JMPZNNFLXAVQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-6-2-4-7(5-3-6)8-9(14)11(16)13(18)12(17)10(8)15/h2-5H,14-18H2,1H3.
What are the key properties of 6-(4-methylphenyl)benzene-1,2,3,4,5-pentamine?
6-(4-methylphenyl)benzene-1,2,3,4,5-pentamine has a molecular weight of 243.31 g/mol, XLogP of 1.57, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)benzene-1,2,3,4,5-pentamine is sourced from PubChem (CID 158961059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).