3-(4-methylquinolin-1-ium-1-yl)propan-1-amine

C13H17N2+ — CID 59274376

IUPAC3-(4-methylquinolin-1-ium-1-yl)propan-1-amine
SMILESCc1cc[n+](CCCN)c2ccccc12
InChIInChI=1S/C13H17N2/c1-11-7-10-15(9-4-8-14)13-6-3-2-5-12(11)13/h2-3,5-7,10H,4,8-9,14H2,1H3/q+1
InChIKeyVLNNWSGGAFNWKU-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.78
Rot. Bonds3

About 3-(4-methylquinolin-1-ium-1-yl)propan-1-amine

3-(4-methylquinolin-1-ium-1-yl)propan-1-amine (PubChem CID 59274376) has the molecular formula C13H17N2+ and a molecular weight of 201.29 g/mol. Its IUPAC name is 3-(4-methylquinolin-1-ium-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-methylquinolin-1-ium-1-yl)propan-1-amine
PubChem CID59274376
Molecular FormulaC13H17N2+
Molecular Weight201.29 g/mol
Exact Mass201.14
IUPAC Name3-(4-methylquinolin-1-ium-1-yl)propan-1-amine
SMILESCc1cc[n+](CCCN)c2ccccc12
InChIInChI=1S/C13H17N2/c1-11-7-10-15(9-4-8-14)13-6-3-2-5-12(11)13/h2-3,5-7,10H,4,8-9,14H2,1H3/q+1
InChIKeyVLNNWSGGAFNWKU-UHFFFAOYSA-N
XLogP1.78
TPSA29.90 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylquinolin-1-ium-1-yl)propan-1-amine?
The IUPAC name of 3-(4-methylquinolin-1-ium-1-yl)propan-1-amine (CID 59274376) is 3-(4-methylquinolin-1-ium-1-yl)propan-1-amine.
What is the SMILES notation for 3-(4-methylquinolin-1-ium-1-yl)propan-1-amine?
The canonical SMILES for 3-(4-methylquinolin-1-ium-1-yl)propan-1-amine is Cc1cc[n+](CCCN)c2ccccc12.
What is the InChIKey of 3-(4-methylquinolin-1-ium-1-yl)propan-1-amine?
The InChIKey is VLNNWSGGAFNWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N2/c1-11-7-10-15(9-4-8-14)13-6-3-2-5-12(11)13/h2-3,5-7,10H,4,8-9,14H2,1H3/q+1.
What are the key properties of 3-(4-methylquinolin-1-ium-1-yl)propan-1-amine?
3-(4-methylquinolin-1-ium-1-yl)propan-1-amine has a molecular weight of 201.29 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylquinolin-1-ium-1-yl)propan-1-amine is sourced from PubChem (CID 59274376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).