2-methylquinolin-1-ium-8-amine

C10H11N2+ — CID 136680242

IUPAC2-methylquinolin-1-ium-8-amine
SMILESCc1ccc2cccc(N)c2[nH+]1
InChIInChI=1S/C10H10N2/c1-7-5-6-8-3-2-4-9(11)10(8)12-7/h2-6H,11H2,1H3/p+1
InChIKeyJHIAOWGCGNMQKA-UHFFFAOYSA-O
MW159.21 g/mol
LogP1.54
Rot. Bonds

About 2-methylquinolin-1-ium-8-amine

2-methylquinolin-1-ium-8-amine (PubChem CID 136680242) has the molecular formula C10H11N2+ and a molecular weight of 159.21 g/mol. Its IUPAC name is 2-methylquinolin-1-ium-8-amine.

Molecular Properties

Compound Name2-methylquinolin-1-ium-8-amine
PubChem CID136680242
Molecular FormulaC10H11N2+
Molecular Weight159.21 g/mol
Exact Mass159.09
IUPAC Name2-methylquinolin-1-ium-8-amine
SMILESCc1ccc2cccc(N)c2[nH+]1
InChIInChI=1S/C10H10N2/c1-7-5-6-8-3-2-4-9(11)10(8)12-7/h2-6H,11H2,1H3/p+1
InChIKeyJHIAOWGCGNMQKA-UHFFFAOYSA-O
XLogP1.54
TPSA40.16 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-methylanthracen-1-amine
CID 23131270
ethane;naphthalene-1,8-diamine
CID 90905453
1-(2-methylnaphthalen-1-yl)naphthalen-2-amine
CID 18736750
CID 135259743
CID 135259743
azane;naphthalen-1-amine;dihydrochloride
CID 142719941
1-(3-methylphenyl)naphthalen-2-amine
CID 141043466
methylsulfonylmethane;naphthalen-1-amine
CID 158608928
1-(2-aminonaphthalen-1-yl)-7-methylnaphthalen-2-amine
CID 11266515
dichloromethane;naphthalen-1-amine
CID 174958204
1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;hydrochloride
CID 139641730
2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678
3-methylbenzene-1,2-diamine
CID 162019775

Frequently Asked Questions

What is the IUPAC name of 2-methylquinolin-1-ium-8-amine?
The IUPAC name of 2-methylquinolin-1-ium-8-amine (CID 136680242) is 2-methylquinolin-1-ium-8-amine.
What is the SMILES notation for 2-methylquinolin-1-ium-8-amine?
The canonical SMILES for 2-methylquinolin-1-ium-8-amine is Cc1ccc2cccc(N)c2[nH+]1.
What is the InChIKey of 2-methylquinolin-1-ium-8-amine?
The InChIKey is JHIAOWGCGNMQKA-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H10N2/c1-7-5-6-8-3-2-4-9(11)10(8)12-7/h2-6H,11H2,1H3/p+1.
What are the key properties of 2-methylquinolin-1-ium-8-amine?
2-methylquinolin-1-ium-8-amine has a molecular weight of 159.21 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylquinolin-1-ium-8-amine is sourced from PubChem (CID 136680242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).