[1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride

C16H22ClN3 — CID 120841918

IUPAC[1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
SMILESCc1ccc2cc(CN3CCCC3CN)ccc2n1.Cl
InChIInChI=1S/C16H21N3.ClH/c1-12-4-6-14-9-13(5-7-16(14)18-12)11-19-8-2-3-15(19)10-17;/h4-7,9,15H,2-3,8,10-11,17H2,1H3;1H
InChIKeyUUPMYQUHFDMBPT-UHFFFAOYSA-N
MW291.83 g/mol
LogP2.89
Rot. Bonds3

About [1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride

[1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride (PubChem CID 120841918) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is [1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
PubChem CID120841918
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name[1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
SMILESCc1ccc2cc(CN3CCCC3CN)ccc2n1.Cl
InChIInChI=1S/C16H21N3.ClH/c1-12-4-6-14-9-13(5-7-16(14)18-12)11-19-8-2-3-15(19)10-17;/h4-7,9,15H,2-3,8,10-11,17H2,1H3;1H
InChIKeyUUPMYQUHFDMBPT-UHFFFAOYSA-N
XLogP2.89
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-methyl-1-[(2-methylquinolin-6-yl)methyl]piperazin-2-yl]methanamine
CID 105379017
[1-(quinolin-6-ylmethyl)piperidin-2-yl]methanamine
CID 43209671
2-methyl-6-[[2-(1-methylpyrazol-3-yl)pyrrolidin-1-yl]methyl]quinoline
CID 166296007
[1-[(4-bromo-3-methylphenyl)methyl]pyrrolidin-2-yl]methanamine
CID 115311730
N-methyl-1-[(2-methylquinolin-6-yl)methyl]piperidin-3-amine
CID 105378976
4-methyl-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120909674
6-[(3-methoxypiperidin-1-yl)methyl]-2-methylquinoline
CID 126778484
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
[(2S)-1-[(4-iodophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 90478034
2-methyl-6-[(3-methylpyrrolidin-1-yl)methyl]quinoline
CID 170707754
[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 14709038
(3R)-1,3-dimethyl-4-[(2-methylquinolin-6-yl)methyl]piperazin-2-one
CID 99826047

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride (CID 120841918) is [1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride is Cc1ccc2cc(CN3CCCC3CN)ccc2n1.Cl.
What is the InChIKey of [1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride?
The InChIKey is UUPMYQUHFDMBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3.ClH/c1-12-4-6-14-9-13(5-7-16(14)18-12)11-19-8-2-3-15(19)10-17;/h4-7,9,15H,2-3,8,10-11,17H2,1H3;1H.
What are the key properties of [1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride?
[1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride has a molecular weight of 291.83 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 120841918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).