3-[2-(4-ethylmorpholin-2-yl)-2-(propylamino)ethyl]pyridin-2-amine

C16H28N4O — CID 79662549

IUPAC3-[2-(4-ethylmorpholin-2-yl)-2-(propylamino)ethyl]pyridin-2-amine
SMILESCCCNC(Cc1cccnc1N)C1CN(CC)CCO1
InChIInChI=1S/C16H28N4O/c1-3-7-18-14(11-13-6-5-8-19-16(13)17)15-12-20(4-2)9-10-21-15/h5-6,8,14-15,18H,3-4,7,9-12H2,1-2H3,(H2,17,19)
InChIKeyMTESVBYZBWIHQH-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.30
Rot. Bonds7

About 3-[2-(4-ethylmorpholin-2-yl)-2-(propylamino)ethyl]pyridin-2-amine

3-[2-(4-ethylmorpholin-2-yl)-2-(propylamino)ethyl]pyridin-2-amine (PubChem CID 79662549) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 3-[2-(4-ethylmorpholin-2-yl)-2-(propylamino)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[2-(4-ethylmorpholin-2-yl)-2-(propylamino)ethyl]pyridin-2-amine
PubChem CID79662549
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name3-[2-(4-ethylmorpholin-2-yl)-2-(propylamino)ethyl]pyridin-2-amine
SMILESCCCNC(Cc1cccnc1N)C1CN(CC)CCO1
InChIInChI=1S/C16H28N4O/c1-3-7-18-14(11-13-6-5-8-19-16(13)17)15-12-20(4-2)9-10-21-15/h5-6,8,14-15,18H,3-4,7,9-12H2,1-2H3,(H2,17,19)
InChIKeyMTESVBYZBWIHQH-UHFFFAOYSA-N
XLogP1.30
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethylmorpholin-2-yl)-2-(propylamino)ethyl]pyridin-2-amine?
The IUPAC name of 3-[2-(4-ethylmorpholin-2-yl)-2-(propylamino)ethyl]pyridin-2-amine (CID 79662549) is 3-[2-(4-ethylmorpholin-2-yl)-2-(propylamino)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-[2-(4-ethylmorpholin-2-yl)-2-(propylamino)ethyl]pyridin-2-amine?
The canonical SMILES for 3-[2-(4-ethylmorpholin-2-yl)-2-(propylamino)ethyl]pyridin-2-amine is CCCNC(Cc1cccnc1N)C1CN(CC)CCO1.
What is the InChIKey of 3-[2-(4-ethylmorpholin-2-yl)-2-(propylamino)ethyl]pyridin-2-amine?
The InChIKey is MTESVBYZBWIHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-3-7-18-14(11-13-6-5-8-19-16(13)17)15-12-20(4-2)9-10-21-15/h5-6,8,14-15,18H,3-4,7,9-12H2,1-2H3,(H2,17,19).
What are the key properties of 3-[2-(4-ethylmorpholin-2-yl)-2-(propylamino)ethyl]pyridin-2-amine?
3-[2-(4-ethylmorpholin-2-yl)-2-(propylamino)ethyl]pyridin-2-amine has a molecular weight of 292.43 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethylmorpholin-2-yl)-2-(propylamino)ethyl]pyridin-2-amine is sourced from PubChem (CID 79662549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).