2-[2-(1-aminoethyl)morpholin-4-yl]propanenitrile

C9H17N3O — CID 115315413

IUPAC2-[2-(1-aminoethyl)morpholin-4-yl]propanenitrile
SMILESCC(N)C1CN(C(C)C#N)CCO1
InChIInChI=1S/C9H17N3O/c1-7(5-10)12-3-4-13-9(6-12)8(2)11/h7-9H,3-4,6,11H2,1-2H3
InChIKeyIUHOILBSQJYQSV-UHFFFAOYSA-N
MW183.25 g/mol
LogP-0.05
Rot. Bonds2

About 2-[2-(1-aminoethyl)morpholin-4-yl]propanenitrile

2-[2-(1-aminoethyl)morpholin-4-yl]propanenitrile (PubChem CID 115315413) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)morpholin-4-yl]propanenitrile.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)morpholin-4-yl]propanenitrile
PubChem CID115315413
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-[2-(1-aminoethyl)morpholin-4-yl]propanenitrile
SMILESCC(N)C1CN(C(C)C#N)CCO1
InChIInChI=1S/C9H17N3O/c1-7(5-10)12-3-4-13-9(6-12)8(2)11/h7-9H,3-4,6,11H2,1-2H3
InChIKeyIUHOILBSQJYQSV-UHFFFAOYSA-N
XLogP-0.05
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-pentan-3-ylmorpholin-2-yl)ethanamine
CID 115315016
2-[2-(1-aminoethyl)morpholin-4-yl]sulfonylpropanenitrile
CID 115315266
methyl 2-[2-(1-aminoethyl)morpholin-4-yl]propanoate
CID 115315582
ethyl 2-[2-(1-aminoethyl)morpholin-4-yl]pentanoate
CID 83048968
1-[4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]ethanamine
CID 115314814
4-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-N,N-dimethylaniline
CID 115314805
2-[2-(1-aminoethyl)morpholin-4-yl]benzonitrile
CID 113285117
2-[2-(5-methylfuran-2-yl)morpholin-4-yl]propanenitrile
CID 122138793
1-(4-but-2-ynylmorpholin-2-yl)ethanamine
CID 115315665
1-(4-propylmorpholin-2-yl)ethanamine
CID 79658084
1-[4-[1-(4-methylphenyl)propyl]morpholin-2-yl]ethanamine
CID 115314999
2-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]benzene-1,4-diol
CID 115314817

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)morpholin-4-yl]propanenitrile?
The IUPAC name of 2-[2-(1-aminoethyl)morpholin-4-yl]propanenitrile (CID 115315413) is 2-[2-(1-aminoethyl)morpholin-4-yl]propanenitrile.
What is the SMILES notation for 2-[2-(1-aminoethyl)morpholin-4-yl]propanenitrile?
The canonical SMILES for 2-[2-(1-aminoethyl)morpholin-4-yl]propanenitrile is CC(N)C1CN(C(C)C#N)CCO1.
What is the InChIKey of 2-[2-(1-aminoethyl)morpholin-4-yl]propanenitrile?
The InChIKey is IUHOILBSQJYQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7(5-10)12-3-4-13-9(6-12)8(2)11/h7-9H,3-4,6,11H2,1-2H3.
What are the key properties of 2-[2-(1-aminoethyl)morpholin-4-yl]propanenitrile?
2-[2-(1-aminoethyl)morpholin-4-yl]propanenitrile has a molecular weight of 183.25 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)morpholin-4-yl]propanenitrile is sourced from PubChem (CID 115315413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).