8-methylquinoline-2,6-diamine

C10H11N3 — CID 143854543

IUPAC8-methylquinoline-2,6-diamine
SMILESCc1cc(N)cc2ccc(N)nc12
InChIInChI=1S/C10H11N3/c1-6-4-8(11)5-7-2-3-9(12)13-10(6)7/h2-5H,11H2,1H3,(H2,12,13)
InChIKeyBADTXSOPCOJQLV-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.71
Rot. Bonds

About 8-methylquinoline-2,6-diamine

8-methylquinoline-2,6-diamine (PubChem CID 143854543) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 8-methylquinoline-2,6-diamine.

Molecular Properties

Compound Name8-methylquinoline-2,6-diamine
PubChem CID143854543
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name8-methylquinoline-2,6-diamine
SMILESCc1cc(N)cc2ccc(N)nc12
InChIInChI=1S/C10H11N3/c1-6-4-8(11)5-7-2-3-9(12)13-10(6)7/h2-5H,11H2,1H3,(H2,12,13)
InChIKeyBADTXSOPCOJQLV-UHFFFAOYSA-N
XLogP1.71
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-naphthalen-1-ylquinoline-2,6-diamine
CID 89148746
quinoline-2,6-diamine
CID 22018948
5-methyl-1,10-phenanthrolin-2-amine
CID 121279009
2-amino-5,7-dimethylquinolin-8-ol;ethane
CID 145281381
3,7,8-trimethylquinolin-2-amine;hydrochloride
CID 43866004
3-methylthieno[3,2-b]pyridin-5-amine
CID 131162328
6-bromo-7,8-dichloroquinolin-2-amine
CID 107794242
6-ethenyl-5-methylpyridin-2-amine
CID 74888427
ethane;4-methylnaphthalen-2-amine
CID 144829259
methanol;2-methylpropane;quinoline-2,6-diamine
CID 143375895
7-methyl-1-benzothiophen-5-amine
CID 90308865
4-methylbenzo[h]quinolin-2-amine
CID 12820957

Frequently Asked Questions

What is the IUPAC name of 8-methylquinoline-2,6-diamine?
The IUPAC name of 8-methylquinoline-2,6-diamine (CID 143854543) is 8-methylquinoline-2,6-diamine.
What is the SMILES notation for 8-methylquinoline-2,6-diamine?
The canonical SMILES for 8-methylquinoline-2,6-diamine is Cc1cc(N)cc2ccc(N)nc12.
What is the InChIKey of 8-methylquinoline-2,6-diamine?
The InChIKey is BADTXSOPCOJQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-6-4-8(11)5-7-2-3-9(12)13-10(6)7/h2-5H,11H2,1H3,(H2,12,13).
What are the key properties of 8-methylquinoline-2,6-diamine?
8-methylquinoline-2,6-diamine has a molecular weight of 173.22 g/mol, XLogP of 1.71, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylquinoline-2,6-diamine is sourced from PubChem (CID 143854543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).