N-methyl-1-[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]ethanamine

C18H23N3 — CID 83110817

IUPACN-methyl-1-[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]ethanamine
SMILESCNC(C)c1ccc(N2CCCc3cc(C)ccc32)cn1
InChIInChI=1S/C18H23N3/c1-13-6-9-18-15(11-13)5-4-10-21(18)16-7-8-17(20-12-16)14(2)19-3/h6-9,11-12,14,19H,4-5,10H2,1-3H3
InChIKeyZGKLRLBEFJZPTM-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.75
Rot. Bonds3

About N-methyl-1-[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]ethanamine

N-methyl-1-[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]ethanamine (PubChem CID 83110817) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-methyl-1-[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]ethanamine
PubChem CID83110817
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-methyl-1-[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]ethanamine
SMILESCNC(C)c1ccc(N2CCCc3cc(C)ccc32)cn1
InChIInChI=1S/C18H23N3/c1-13-6-9-18-15(11-13)5-4-10-21(18)16-7-8-17(20-12-16)14(2)19-3/h6-9,11-12,14,19H,4-5,10H2,1-3H3
InChIKeyZGKLRLBEFJZPTM-UHFFFAOYSA-N
XLogP3.75
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]ethanamine?
The IUPAC name of N-methyl-1-[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]ethanamine (CID 83110817) is N-methyl-1-[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]ethanamine.
What is the SMILES notation for N-methyl-1-[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]ethanamine?
The canonical SMILES for N-methyl-1-[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]ethanamine is CNC(C)c1ccc(N2CCCc3cc(C)ccc32)cn1.
What is the InChIKey of N-methyl-1-[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]ethanamine?
The InChIKey is ZGKLRLBEFJZPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-13-6-9-18-15(11-13)5-4-10-21(18)16-7-8-17(20-12-16)14(2)19-3/h6-9,11-12,14,19H,4-5,10H2,1-3H3.
What are the key properties of N-methyl-1-[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]ethanamine?
N-methyl-1-[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]ethanamine has a molecular weight of 281.40 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]ethanamine is sourced from PubChem (CID 83110817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).