4-methyl-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-3-amine;hydrochloride

C16H22ClN3 — CID 120909674

IUPAC4-methyl-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCc1ccc2cc(CN3CC(C)C(N)C3)ccc2n1.Cl
InChIInChI=1S/C16H21N3.ClH/c1-11-8-19(10-15(11)17)9-13-4-6-16-14(7-13)5-3-12(2)18-16;/h3-7,11,15H,8-10,17H2,1-2H3;1H
InChIKeyTYFDTAXSWCCPHT-UHFFFAOYSA-N
MW291.83 g/mol
LogP2.74
Rot. Bonds2

About 4-methyl-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-3-amine;hydrochloride

4-methyl-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 120909674) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 4-methyl-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name4-methyl-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-3-amine;hydrochloride
PubChem CID120909674
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name4-methyl-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCc1ccc2cc(CN3CC(C)C(N)C3)ccc2n1.Cl
InChIInChI=1S/C16H21N3.ClH/c1-11-8-19(10-15(11)17)9-13-4-6-16-14(7-13)5-3-12(2)18-16;/h3-7,11,15H,8-10,17H2,1-2H3;1H
InChIKeyTYFDTAXSWCCPHT-UHFFFAOYSA-N
XLogP2.74
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(quinolin-6-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 120908917
(3S,4R)-1-[(2-methylquinolin-6-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120846809
4-methyl-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120908997
2-methyl-6-[(3-methylpyrrolidin-1-yl)methyl]quinoline
CID 170707754
5-methyl-1-[(2-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid
CID 122125208
2-methyl-6-[(3-methylpiperazin-1-yl)methyl]quinoline
CID 105379000
2-[1-[(2-methylquinolin-6-yl)methyl]azetidin-3-yl]propanoic acid
CID 105379685
4-methyl-1-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120909731
1-[(3,4-difluorophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575586
(3R,4S)-1-[(2-methylquinolin-6-yl)methyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 167885486
(3R,4R)-1-[(2-methylquinolin-6-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 166238281
1-[(3-bromo-4-chlorophenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909523

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of 4-methyl-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-3-amine;hydrochloride (CID 120909674) is 4-methyl-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 4-methyl-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 4-methyl-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-3-amine;hydrochloride is Cc1ccc2cc(CN3CC(C)C(N)C3)ccc2n1.Cl.
What is the InChIKey of 4-methyl-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is TYFDTAXSWCCPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3.ClH/c1-11-8-19(10-15(11)17)9-13-4-6-16-14(7-13)5-3-12(2)18-16;/h3-7,11,15H,8-10,17H2,1-2H3;1H.
What are the key properties of 4-methyl-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-3-amine;hydrochloride?
4-methyl-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 291.83 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120909674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).