2-(ethylaminomethyl)-3-morpholin-4-ylpropanenitrile

C10H19N3O — CID 168654930

IUPAC2-(ethylaminomethyl)-3-morpholin-4-ylpropanenitrile
SMILESCCNCC(C#N)CN1CCOCC1
InChIInChI=1S/C10H19N3O/c1-2-12-8-10(7-11)9-13-3-5-14-6-4-13/h10,12H,2-6,8-9H2,1H3
InChIKeyLHRVPQGBOXRCOG-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.07
Rot. Bonds5

About 2-(ethylaminomethyl)-3-morpholin-4-ylpropanenitrile

2-(ethylaminomethyl)-3-morpholin-4-ylpropanenitrile (PubChem CID 168654930) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-3-morpholin-4-ylpropanenitrile.

Molecular Properties

Compound Name2-(ethylaminomethyl)-3-morpholin-4-ylpropanenitrile
PubChem CID168654930
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-(ethylaminomethyl)-3-morpholin-4-ylpropanenitrile
SMILESCCNCC(C#N)CN1CCOCC1
InChIInChI=1S/C10H19N3O/c1-2-12-8-10(7-11)9-13-3-5-14-6-4-13/h10,12H,2-6,8-9H2,1H3
InChIKeyLHRVPQGBOXRCOG-UHFFFAOYSA-N
XLogP0.07
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-3-morpholin-4-ylpropanenitrile?
The IUPAC name of 2-(ethylaminomethyl)-3-morpholin-4-ylpropanenitrile (CID 168654930) is 2-(ethylaminomethyl)-3-morpholin-4-ylpropanenitrile.
What is the SMILES notation for 2-(ethylaminomethyl)-3-morpholin-4-ylpropanenitrile?
The canonical SMILES for 2-(ethylaminomethyl)-3-morpholin-4-ylpropanenitrile is CCNCC(C#N)CN1CCOCC1.
What is the InChIKey of 2-(ethylaminomethyl)-3-morpholin-4-ylpropanenitrile?
The InChIKey is LHRVPQGBOXRCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-2-12-8-10(7-11)9-13-3-5-14-6-4-13/h10,12H,2-6,8-9H2,1H3.
What are the key properties of 2-(ethylaminomethyl)-3-morpholin-4-ylpropanenitrile?
2-(ethylaminomethyl)-3-morpholin-4-ylpropanenitrile has a molecular weight of 197.28 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-3-morpholin-4-ylpropanenitrile is sourced from PubChem (CID 168654930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).