N-methyl-3-(3-methylquinolin-2-yl)pentan-2-amine

C16H22N2 — CID 63229405

IUPACN-methyl-3-(3-methylquinolin-2-yl)pentan-2-amine
SMILESCCC(c1nc2ccccc2cc1C)C(C)NC
InChIInChI=1S/C16H22N2/c1-5-14(12(3)17-4)16-11(2)10-13-8-6-7-9-15(13)18-16/h6-10,12,14,17H,5H2,1-4H3
InChIKeyUPWDURXXGFKEBD-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.64
Rot. Bonds4

About N-methyl-3-(3-methylquinolin-2-yl)pentan-2-amine

N-methyl-3-(3-methylquinolin-2-yl)pentan-2-amine (PubChem CID 63229405) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-methyl-3-(3-methylquinolin-2-yl)pentan-2-amine.

Molecular Properties

Compound NameN-methyl-3-(3-methylquinolin-2-yl)pentan-2-amine
PubChem CID63229405
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-methyl-3-(3-methylquinolin-2-yl)pentan-2-amine
SMILESCCC(c1nc2ccccc2cc1C)C(C)NC
InChIInChI=1S/C16H22N2/c1-5-14(12(3)17-4)16-11(2)10-13-8-6-7-9-15(13)18-16/h6-10,12,14,17H,5H2,1-4H3
InChIKeyUPWDURXXGFKEBD-UHFFFAOYSA-N
XLogP3.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-methylquinolin-2-yl)pentan-2-amine?
The IUPAC name of N-methyl-3-(3-methylquinolin-2-yl)pentan-2-amine (CID 63229405) is N-methyl-3-(3-methylquinolin-2-yl)pentan-2-amine.
What is the SMILES notation for N-methyl-3-(3-methylquinolin-2-yl)pentan-2-amine?
The canonical SMILES for N-methyl-3-(3-methylquinolin-2-yl)pentan-2-amine is CCC(c1nc2ccccc2cc1C)C(C)NC.
What is the InChIKey of N-methyl-3-(3-methylquinolin-2-yl)pentan-2-amine?
The InChIKey is UPWDURXXGFKEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-5-14(12(3)17-4)16-11(2)10-13-8-6-7-9-15(13)18-16/h6-10,12,14,17H,5H2,1-4H3.
What are the key properties of N-methyl-3-(3-methylquinolin-2-yl)pentan-2-amine?
N-methyl-3-(3-methylquinolin-2-yl)pentan-2-amine has a molecular weight of 242.37 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-methylquinolin-2-yl)pentan-2-amine is sourced from PubChem (CID 63229405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).