N-[(5-bromoquinolin-8-yl)methyl]-1-(1-methylpiperidin-3-yl)methanamine

C17H22BrN3 — CID 115959253

IUPACN-[(5-bromoquinolin-8-yl)methyl]-1-(1-methylpiperidin-3-yl)methanamine
SMILESCN1CCCC(CNCc2ccc(Br)c3cccnc23)C1
InChIInChI=1S/C17H22BrN3/c1-21-9-3-4-13(12-21)10-19-11-14-6-7-16(18)15-5-2-8-20-17(14)15/h2,5-8,13,19H,3-4,9-12H2,1H3
InChIKeyCMLBHYFMMPWEEZ-UHFFFAOYSA-N
MW348.29 g/mol
LogP3.43
Rot. Bonds4

About N-[(5-bromoquinolin-8-yl)methyl]-1-(1-methylpiperidin-3-yl)methanamine

N-[(5-bromoquinolin-8-yl)methyl]-1-(1-methylpiperidin-3-yl)methanamine (PubChem CID 115959253) has the molecular formula C17H22BrN3 and a molecular weight of 348.29 g/mol. Its IUPAC name is N-[(5-bromoquinolin-8-yl)methyl]-1-(1-methylpiperidin-3-yl)methanamine.

Molecular Properties

Compound NameN-[(5-bromoquinolin-8-yl)methyl]-1-(1-methylpiperidin-3-yl)methanamine
PubChem CID115959253
Molecular FormulaC17H22BrN3
Molecular Weight348.29 g/mol
Exact Mass347.10
IUPAC NameN-[(5-bromoquinolin-8-yl)methyl]-1-(1-methylpiperidin-3-yl)methanamine
SMILESCN1CCCC(CNCc2ccc(Br)c3cccnc23)C1
InChIInChI=1S/C17H22BrN3/c1-21-9-3-4-13(12-21)10-19-11-14-6-7-16(18)15-5-2-8-20-17(14)15/h2,5-8,13,19H,3-4,9-12H2,1H3
InChIKeyCMLBHYFMMPWEEZ-UHFFFAOYSA-N
XLogP3.43
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.29
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromoquinolin-8-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103943748
N-[(5-bromoquinolin-8-yl)methyl]-3-methylbutan-1-amine
CID 112617661
1-(1-methylpiperidin-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanamine
CID 62658500
5-[(5-bromoquinolin-8-yl)methylamino]pentan-2-ol
CID 107267644
N-[(5-bromoquinolin-8-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 115959206
N-[(5-bromoquinolin-8-yl)methyl]butan-1-amine
CID 112617660
N-[(5-bromoquinolin-8-yl)methyl]-1-cyclopropylethanamine
CID 112617689
N-[(5-bromoquinolin-8-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 115959209
4-[[(5-bromoquinolin-8-yl)methylamino]methyl]phenol
CID 115968064
1-(5-bromoquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 115959018
N-[(5-bromoquinolin-8-yl)methyl]-3-methylsulfanylbutan-1-amine
CID 115968069
1-[(5-bromoquinolin-8-yl)methyl]-3-ethylpiperidin-4-amine
CID 115959744

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromoquinolin-8-yl)methyl]-1-(1-methylpiperidin-3-yl)methanamine?
The IUPAC name of N-[(5-bromoquinolin-8-yl)methyl]-1-(1-methylpiperidin-3-yl)methanamine (CID 115959253) is N-[(5-bromoquinolin-8-yl)methyl]-1-(1-methylpiperidin-3-yl)methanamine.
What is the SMILES notation for N-[(5-bromoquinolin-8-yl)methyl]-1-(1-methylpiperidin-3-yl)methanamine?
The canonical SMILES for N-[(5-bromoquinolin-8-yl)methyl]-1-(1-methylpiperidin-3-yl)methanamine is CN1CCCC(CNCc2ccc(Br)c3cccnc23)C1.
What is the InChIKey of N-[(5-bromoquinolin-8-yl)methyl]-1-(1-methylpiperidin-3-yl)methanamine?
The InChIKey is CMLBHYFMMPWEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3/c1-21-9-3-4-13(12-21)10-19-11-14-6-7-16(18)15-5-2-8-20-17(14)15/h2,5-8,13,19H,3-4,9-12H2,1H3.
What are the key properties of N-[(5-bromoquinolin-8-yl)methyl]-1-(1-methylpiperidin-3-yl)methanamine?
N-[(5-bromoquinolin-8-yl)methyl]-1-(1-methylpiperidin-3-yl)methanamine has a molecular weight of 348.29 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromoquinolin-8-yl)methyl]-1-(1-methylpiperidin-3-yl)methanamine is sourced from PubChem (CID 115959253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).