2-(2-morpholin-4-ylethylamino)acetonitrile

C8H15N3O — CID 28583059

IUPAC2-(2-morpholin-4-ylethylamino)acetonitrile
SMILESN#CCNCCN1CCOCC1
InChIInChI=1S/C8H15N3O/c9-1-2-10-3-4-11-5-7-12-8-6-11/h10H,2-8H2
InChIKeyJCGZQNAAZFRQKG-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.57
Rot. Bonds4

About 2-(2-morpholin-4-ylethylamino)acetonitrile

2-(2-morpholin-4-ylethylamino)acetonitrile (PubChem CID 28583059) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethylamino)acetonitrile.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethylamino)acetonitrile
PubChem CID28583059
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-(2-morpholin-4-ylethylamino)acetonitrile
SMILESN#CCNCCN1CCOCC1
InChIInChI=1S/C8H15N3O/c9-1-2-10-3-4-11-5-7-12-8-6-11/h10H,2-8H2
InChIKeyJCGZQNAAZFRQKG-UHFFFAOYSA-N
XLogP-0.57
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-[2-[4-(cyanomethyl)piperazin-1-yl]ethylamino]acetonitrile
CID 25027336
CID 59303713
CID 59303713
4-(3-morpholin-4-ylpropylamino)butanenitrile
CID 43236907
1-(2-morpholin-4-ylethylamino)propan-2-ol
CID 43393555
2,3-dimethyl-N-(2-morpholin-4-ylethyl)butan-1-amine
CID 64568943
N-methyl-2-morpholin-4-ylethanamine;molecular hydrogen
CID 143640277
N-(3-morpholin-4-ylpropyl)but-2-yn-1-amine
CID 62309941
N',N'-dimethyl-N-(2-morpholin-4-ylethyl)propane-1,3-diamine
CID 28583738
4-methyl-N-(2-morpholin-4-ylethyl)pentan-1-amine
CID 61044634
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-morpholin-4-ylethanamine
CID 112588697
2-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]benzonitrile
CID 106786936
2-(2-morpholin-4-ylethylamino)acetic acid
CID 28897547

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethylamino)acetonitrile?
The IUPAC name of 2-(2-morpholin-4-ylethylamino)acetonitrile (CID 28583059) is 2-(2-morpholin-4-ylethylamino)acetonitrile.
What is the SMILES notation for 2-(2-morpholin-4-ylethylamino)acetonitrile?
The canonical SMILES for 2-(2-morpholin-4-ylethylamino)acetonitrile is N#CCNCCN1CCOCC1.
What is the InChIKey of 2-(2-morpholin-4-ylethylamino)acetonitrile?
The InChIKey is JCGZQNAAZFRQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c9-1-2-10-3-4-11-5-7-12-8-6-11/h10H,2-8H2.
What are the key properties of 2-(2-morpholin-4-ylethylamino)acetonitrile?
2-(2-morpholin-4-ylethylamino)acetonitrile has a molecular weight of 169.23 g/mol, XLogP of -0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethylamino)acetonitrile is sourced from PubChem (CID 28583059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).