N-[(2-methylquinolin-6-yl)methyl]-2-pyridin-3-ylethanamine

C18H19N3 — CID 105378350

IUPACN-[(2-methylquinolin-6-yl)methyl]-2-pyridin-3-ylethanamine
SMILESCc1ccc2cc(CNCCc3cccnc3)ccc2n1
InChIInChI=1S/C18H19N3/c1-14-4-6-17-11-16(5-7-18(17)21-14)13-20-10-8-15-3-2-9-19-12-15/h2-7,9,11-12,20H,8,10,13H2,1H3
InChIKeyPWYPIPTUOBGCAM-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.27
Rot. Bonds5

About N-[(2-methylquinolin-6-yl)methyl]-2-pyridin-3-ylethanamine

N-[(2-methylquinolin-6-yl)methyl]-2-pyridin-3-ylethanamine (PubChem CID 105378350) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[(2-methylquinolin-6-yl)methyl]-2-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-[(2-methylquinolin-6-yl)methyl]-2-pyridin-3-ylethanamine
PubChem CID105378350
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-[(2-methylquinolin-6-yl)methyl]-2-pyridin-3-ylethanamine
SMILESCc1ccc2cc(CNCCc3cccnc3)ccc2n1
InChIInChI=1S/C18H19N3/c1-14-4-6-17-11-16(5-7-18(17)21-14)13-20-10-8-15-3-2-9-19-12-15/h2-7,9,11-12,20H,8,10,13H2,1H3
InChIKeyPWYPIPTUOBGCAM-UHFFFAOYSA-N
XLogP3.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1H-indol-6-ylmethyl)-2-pyridin-3-ylethanamine
CID 102909982
N-benzyl-2-pyridin-3-ylethanamine
CID 60761296
3,3,3-trifluoro-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 105378460
N',N'-dimethyl-N-[(2-methylquinolin-6-yl)methyl]propane-1,3-diamine
CID 105378209
1-(2-methylquinolin-6-yl)-3-pyridin-3-ylpropan-1-one
CID 105121412
N-[(2-methylquinolin-6-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 102609729
4-[(2-pyridin-3-ylethylamino)methyl]aniline
CID 115212558
1-(2-methylquinolin-6-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 105378208
N-[2-[(2-methylquinolin-6-yl)methylamino]ethyl]methanesulfonamide
CID 105378256
N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 81231391
1-(4-bromophenyl)-N-[(2-methylquinolin-6-yl)methyl]methanamine
CID 105378223
2-methyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 81231609

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylquinolin-6-yl)methyl]-2-pyridin-3-ylethanamine?
The IUPAC name of N-[(2-methylquinolin-6-yl)methyl]-2-pyridin-3-ylethanamine (CID 105378350) is N-[(2-methylquinolin-6-yl)methyl]-2-pyridin-3-ylethanamine.
What is the SMILES notation for N-[(2-methylquinolin-6-yl)methyl]-2-pyridin-3-ylethanamine?
The canonical SMILES for N-[(2-methylquinolin-6-yl)methyl]-2-pyridin-3-ylethanamine is Cc1ccc2cc(CNCCc3cccnc3)ccc2n1.
What is the InChIKey of N-[(2-methylquinolin-6-yl)methyl]-2-pyridin-3-ylethanamine?
The InChIKey is PWYPIPTUOBGCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-14-4-6-17-11-16(5-7-18(17)21-14)13-20-10-8-15-3-2-9-19-12-15/h2-7,9,11-12,20H,8,10,13H2,1H3.
What are the key properties of N-[(2-methylquinolin-6-yl)methyl]-2-pyridin-3-ylethanamine?
N-[(2-methylquinolin-6-yl)methyl]-2-pyridin-3-ylethanamine has a molecular weight of 277.37 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylquinolin-6-yl)methyl]-2-pyridin-3-ylethanamine is sourced from PubChem (CID 105378350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).