2-(3-ethylazetidin-1-yl)-4-methylpyridin-3-amine

C11H17N3 — CID 164661827

IUPAC2-(3-ethylazetidin-1-yl)-4-methylpyridin-3-amine
SMILESCCC1CN(c2nccc(C)c2N)C1
InChIInChI=1S/C11H17N3/c1-3-9-6-14(7-9)11-10(12)8(2)4-5-13-11/h4-5,9H,3,6-7,12H2,1-2H3
InChIKeyZMQSDEBPDHPSQK-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.82
Rot. Bonds2

About 2-(3-ethylazetidin-1-yl)-4-methylpyridin-3-amine

2-(3-ethylazetidin-1-yl)-4-methylpyridin-3-amine (PubChem CID 164661827) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2-(3-ethylazetidin-1-yl)-4-methylpyridin-3-amine.

Molecular Properties

Compound Name2-(3-ethylazetidin-1-yl)-4-methylpyridin-3-amine
PubChem CID164661827
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2-(3-ethylazetidin-1-yl)-4-methylpyridin-3-amine
SMILESCCC1CN(c2nccc(C)c2N)C1
InChIInChI=1S/C11H17N3/c1-3-9-6-14(7-9)11-10(12)8(2)4-5-13-11/h4-5,9H,3,6-7,12H2,1-2H3
InChIKeyZMQSDEBPDHPSQK-UHFFFAOYSA-N
XLogP1.82
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylazetidin-1-yl)-4-methylpyridin-3-amine?
The IUPAC name of 2-(3-ethylazetidin-1-yl)-4-methylpyridin-3-amine (CID 164661827) is 2-(3-ethylazetidin-1-yl)-4-methylpyridin-3-amine.
What is the SMILES notation for 2-(3-ethylazetidin-1-yl)-4-methylpyridin-3-amine?
The canonical SMILES for 2-(3-ethylazetidin-1-yl)-4-methylpyridin-3-amine is CCC1CN(c2nccc(C)c2N)C1.
What is the InChIKey of 2-(3-ethylazetidin-1-yl)-4-methylpyridin-3-amine?
The InChIKey is ZMQSDEBPDHPSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-3-9-6-14(7-9)11-10(12)8(2)4-5-13-11/h4-5,9H,3,6-7,12H2,1-2H3.
What are the key properties of 2-(3-ethylazetidin-1-yl)-4-methylpyridin-3-amine?
2-(3-ethylazetidin-1-yl)-4-methylpyridin-3-amine has a molecular weight of 191.28 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylazetidin-1-yl)-4-methylpyridin-3-amine is sourced from PubChem (CID 164661827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).