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

C16H21N3 — CID 103575145

IUPAC4-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine
SMILESCc1cc(CN2CC(C)C(N)C2)c2ccccc2n1
InChIInChI=1S/C16H21N3/c1-11-8-19(10-15(11)17)9-13-7-12(2)18-16-6-4-3-5-14(13)16/h3-7,11,15H,8-10,17H2,1-2H3
InChIKeyDJTOWZQEFMHJOM-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.32
Rot. Bonds2

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

4-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine (PubChem CID 103575145) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 4-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name4-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine
PubChem CID103575145
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name4-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine
SMILESCc1cc(CN2CC(C)C(N)C2)c2ccccc2n1
InChIInChI=1S/C16H21N3/c1-11-8-19(10-15(11)17)9-13-7-12(2)18-16-6-4-3-5-14(13)16/h3-7,11,15H,8-10,17H2,1-2H3
InChIKeyDJTOWZQEFMHJOM-UHFFFAOYSA-N
XLogP2.32
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 4-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine (CID 103575145) is 4-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 4-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 4-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine is Cc1cc(CN2CC(C)C(N)C2)c2ccccc2n1.
What is the InChIKey of 4-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine?
The InChIKey is DJTOWZQEFMHJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11-8-19(10-15(11)17)9-13-7-12(2)18-16-6-4-3-5-14(13)16/h3-7,11,15H,8-10,17H2,1-2H3.
What are the key properties of 4-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine?
4-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine has a molecular weight of 255.37 g/mol, XLogP of 2.32, 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-4-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 103575145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).