1-[2-(azocan-1-yl)quinolin-3-yl]-N-methylmethanamine

C18H25N3 — CID 43281388

IUPAC1-[2-(azocan-1-yl)quinolin-3-yl]-N-methylmethanamine
SMILESCNCc1cc2ccccc2nc1N1CCCCCCC1
InChIInChI=1S/C18H25N3/c1-19-14-16-13-15-9-5-6-10-17(15)20-18(16)21-11-7-3-2-4-8-12-21/h5-6,9-10,13,19H,2-4,7-8,11-12,14H2,1H3
InChIKeyKGGJYKYHQRTGJH-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.72
Rot. Bonds3

About 1-[2-(azocan-1-yl)quinolin-3-yl]-N-methylmethanamine

1-[2-(azocan-1-yl)quinolin-3-yl]-N-methylmethanamine (PubChem CID 43281388) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-[2-(azocan-1-yl)quinolin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(azocan-1-yl)quinolin-3-yl]-N-methylmethanamine
PubChem CID43281388
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name1-[2-(azocan-1-yl)quinolin-3-yl]-N-methylmethanamine
SMILESCNCc1cc2ccccc2nc1N1CCCCCCC1
InChIInChI=1S/C18H25N3/c1-19-14-16-13-15-9-5-6-10-17(15)20-18(16)21-11-7-3-2-4-8-12-21/h5-6,9-10,13,19H,2-4,7-8,11-12,14H2,1H3
InChIKeyKGGJYKYHQRTGJH-UHFFFAOYSA-N
XLogP3.72
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(azocan-1-yl)quinolin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(azocan-1-yl)quinolin-3-yl]-N-methylmethanamine (CID 43281388) is 1-[2-(azocan-1-yl)quinolin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(azocan-1-yl)quinolin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(azocan-1-yl)quinolin-3-yl]-N-methylmethanamine is CNCc1cc2ccccc2nc1N1CCCCCCC1.
What is the InChIKey of 1-[2-(azocan-1-yl)quinolin-3-yl]-N-methylmethanamine?
The InChIKey is KGGJYKYHQRTGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-19-14-16-13-15-9-5-6-10-17(15)20-18(16)21-11-7-3-2-4-8-12-21/h5-6,9-10,13,19H,2-4,7-8,11-12,14H2,1H3.
What are the key properties of 1-[2-(azocan-1-yl)quinolin-3-yl]-N-methylmethanamine?
1-[2-(azocan-1-yl)quinolin-3-yl]-N-methylmethanamine has a molecular weight of 283.42 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azocan-1-yl)quinolin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 43281388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).