2-methyl-3-(morpholin-4-ylamino)propanenitrile

C8H15N3O — CID 83021257

IUPAC2-methyl-3-(morpholin-4-ylamino)propanenitrile
SMILESCC(C#N)CNN1CCOCC1
InChIInChI=1S/C8H15N3O/c1-8(6-9)7-10-11-2-4-12-5-3-11/h8,10H,2-5,7H2,1H3
InChIKeyMXEIKVGKQDBSMK-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.02
Rot. Bonds3

About 2-methyl-3-(morpholin-4-ylamino)propanenitrile

2-methyl-3-(morpholin-4-ylamino)propanenitrile (PubChem CID 83021257) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-methyl-3-(morpholin-4-ylamino)propanenitrile.

Molecular Properties

Compound Name2-methyl-3-(morpholin-4-ylamino)propanenitrile
PubChem CID83021257
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-methyl-3-(morpholin-4-ylamino)propanenitrile
SMILESCC(C#N)CNN1CCOCC1
InChIInChI=1S/C8H15N3O/c1-8(6-9)7-10-11-2-4-12-5-3-11/h8,10H,2-5,7H2,1H3
InChIKeyMXEIKVGKQDBSMK-UHFFFAOYSA-N
XLogP-0.02
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(morpholin-4-ylamino)propanenitrile?
The IUPAC name of 2-methyl-3-(morpholin-4-ylamino)propanenitrile (CID 83021257) is 2-methyl-3-(morpholin-4-ylamino)propanenitrile.
What is the SMILES notation for 2-methyl-3-(morpholin-4-ylamino)propanenitrile?
The canonical SMILES for 2-methyl-3-(morpholin-4-ylamino)propanenitrile is CC(C#N)CNN1CCOCC1.
What is the InChIKey of 2-methyl-3-(morpholin-4-ylamino)propanenitrile?
The InChIKey is MXEIKVGKQDBSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-8(6-9)7-10-11-2-4-12-5-3-11/h8,10H,2-5,7H2,1H3.
What are the key properties of 2-methyl-3-(morpholin-4-ylamino)propanenitrile?
2-methyl-3-(morpholin-4-ylamino)propanenitrile has a molecular weight of 169.23 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(morpholin-4-ylamino)propanenitrile is sourced from PubChem (CID 83021257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).