N-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine;dihydrochloride

C16H23Cl2N3 — CID 119905590

IUPACN-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine;dihydrochloride
SMILESCNC1CCN(Cc2cc(C)nc3ccccc23)C1.Cl.Cl
InChIInChI=1S/C16H21N3.2ClH/c1-12-9-13(10-19-8-7-14(11-19)17-2)15-5-3-4-6-16(15)18-12;;/h3-6,9,14,17H,7-8,10-11H2,1-2H3;2*1H
InChIKeyBMAWDVSFQHCPBO-UHFFFAOYSA-N
MW328.29 g/mol
LogP3.18
Rot. Bonds3

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

N-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine;dihydrochloride (PubChem CID 119905590) has the molecular formula C16H23Cl2N3 and a molecular weight of 328.29 g/mol. Its IUPAC name is N-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound NameN-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine;dihydrochloride
PubChem CID119905590
Molecular FormulaC16H23Cl2N3
Molecular Weight328.29 g/mol
Exact Mass327.13
IUPAC NameN-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine;dihydrochloride
SMILESCNC1CCN(Cc2cc(C)nc3ccccc23)C1.Cl.Cl
InChIInChI=1S/C16H21N3.2ClH/c1-12-9-13(10-19-8-7-14(11-19)17-2)15-5-3-4-6-16(15)18-12;;/h3-6,9,14,17H,7-8,10-11H2,1-2H3;2*1H
InChIKeyBMAWDVSFQHCPBO-UHFFFAOYSA-N
XLogP3.18
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119918724
3-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-4-ol
CID 114502310
4-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-2-methylquinoline
CID 81495492
1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine
CID 79234789
N-methyl-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
CID 62369278
1-[1-[(2-methylquinolin-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 119920625
[4-[(2-methylquinolin-4-yl)methyl]morpholin-2-yl]methanamine
CID 79235234
4-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine
CID 103575145
1-[(2-methylquinolin-4-yl)methyl]piperidine-3-carboximidamide
CID 79230902
N-methyl-1-(naphthalen-1-ylmethyl)piperidin-3-amine
CID 62536724
2-methyl-N-(1-propylpiperidin-4-yl)quinolin-4-amine
CID 71899433
1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119905765

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine;dihydrochloride?
The IUPAC name of N-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine;dihydrochloride (CID 119905590) is N-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for N-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for N-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine;dihydrochloride is CNC1CCN(Cc2cc(C)nc3ccccc23)C1.Cl.Cl.
What is the InChIKey of N-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine;dihydrochloride?
The InChIKey is BMAWDVSFQHCPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3.2ClH/c1-12-9-13(10-19-8-7-14(11-19)17-2)15-5-3-4-6-16(15)18-12;;/h3-6,9,14,17H,7-8,10-11H2,1-2H3;2*1H.
What are the key properties of N-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine;dihydrochloride?
N-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine;dihydrochloride has a molecular weight of 328.29 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 119905590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).