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

C17H23N3 — CID 79241377

IUPAC1-[(2-methylquinolin-4-yl)methyl]-3-propylazetidin-3-amine
SMILESCCCC1(N)CN(Cc2cc(C)nc3ccccc23)C1
InChIInChI=1S/C17H23N3/c1-3-8-17(18)11-20(12-17)10-14-9-13(2)19-16-7-5-4-6-15(14)16/h4-7,9H,3,8,10-12,18H2,1-2H3
InChIKeyAOPPUOXXDQAXFX-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.86
Rot. Bonds4

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

1-[(2-methylquinolin-4-yl)methyl]-3-propylazetidin-3-amine (PubChem CID 79241377) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[(2-methylquinolin-4-yl)methyl]-3-propylazetidin-3-amine.

Molecular Properties

Compound Name1-[(2-methylquinolin-4-yl)methyl]-3-propylazetidin-3-amine
PubChem CID79241377
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-[(2-methylquinolin-4-yl)methyl]-3-propylazetidin-3-amine
SMILESCCCC1(N)CN(Cc2cc(C)nc3ccccc23)C1
InChIInChI=1S/C17H23N3/c1-3-8-17(18)11-20(12-17)10-14-9-13(2)19-16-7-5-4-6-15(14)16/h4-7,9H,3,8,10-12,18H2,1-2H3
InChIKeyAOPPUOXXDQAXFX-UHFFFAOYSA-N
XLogP2.86
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylquinolin-4-yl)methyl]-3-propylazetidin-3-amine?
The IUPAC name of 1-[(2-methylquinolin-4-yl)methyl]-3-propylazetidin-3-amine (CID 79241377) is 1-[(2-methylquinolin-4-yl)methyl]-3-propylazetidin-3-amine.
What is the SMILES notation for 1-[(2-methylquinolin-4-yl)methyl]-3-propylazetidin-3-amine?
The canonical SMILES for 1-[(2-methylquinolin-4-yl)methyl]-3-propylazetidin-3-amine is CCCC1(N)CN(Cc2cc(C)nc3ccccc23)C1.
What is the InChIKey of 1-[(2-methylquinolin-4-yl)methyl]-3-propylazetidin-3-amine?
The InChIKey is AOPPUOXXDQAXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-8-17(18)11-20(12-17)10-14-9-13(2)19-16-7-5-4-6-15(14)16/h4-7,9H,3,8,10-12,18H2,1-2H3.
What are the key properties of 1-[(2-methylquinolin-4-yl)methyl]-3-propylazetidin-3-amine?
1-[(2-methylquinolin-4-yl)methyl]-3-propylazetidin-3-amine has a molecular weight of 269.39 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylquinolin-4-yl)methyl]-3-propylazetidin-3-amine is sourced from PubChem (CID 79241377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).