2-(morpholin-4-ylamino)acetonitrile;hydrochloride

C6H12ClN3O — CID 10154291

IUPAC2-(morpholin-4-ylamino)acetonitrile;hydrochloride
SMILESCl.N#CCNN1CCOCC1
InChIInChI=1S/C6H11N3O.ClH/c7-1-2-8-9-3-5-10-6-4-9;/h8H,2-6H2;1H
InChIKeyVNMOQPWVEBOBAB-UHFFFAOYSA-N
MW177.63 g/mol
LogP-0.23
Rot. Bonds2

About 2-(morpholin-4-ylamino)acetonitrile;hydrochloride

2-(morpholin-4-ylamino)acetonitrile;hydrochloride (PubChem CID 10154291) has the molecular formula C6H12ClN3O and a molecular weight of 177.63 g/mol. Its IUPAC name is 2-(morpholin-4-ylamino)acetonitrile;hydrochloride.

Molecular Properties

Compound Name2-(morpholin-4-ylamino)acetonitrile;hydrochloride
PubChem CID10154291
Molecular FormulaC6H12ClN3O
Molecular Weight177.63 g/mol
Exact Mass177.07
IUPAC Name2-(morpholin-4-ylamino)acetonitrile;hydrochloride
SMILESCl.N#CCNN1CCOCC1
InChIInChI=1S/C6H11N3O.ClH/c7-1-2-8-9-3-5-10-6-4-9;/h8H,2-6H2;1H
InChIKeyVNMOQPWVEBOBAB-UHFFFAOYSA-N
XLogP-0.23
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-4-(morpholin-4-ylamino)butanenitrile
CID 83020850
N-(2,2-dimethylpropyl)morpholin-4-amine
CID 83009636
2,2-dimethyl-6-(morpholin-4-ylamino)hexanenitrile
CID 106709542
2-(2-morpholin-4-ylethylamino)acetonitrile
CID 28583059
N-(2-cyanoethyl)-2-(morpholin-4-ylamino)acetamide
CID 83021166
3,3,3-trifluoro-2-[(morpholin-4-ylamino)methyl]propanenitrile
CID 103367487
N-tetradecylmorpholin-4-amine;hydrobromide
CID 174875915
N-(2-ethylsulfonylethyl)morpholin-4-amine
CID 83022350
N-(3-methylbut-3-enyl)morpholin-4-amine
CID 114472486
N,N-dimethyl-2-(morpholin-4-ylamino)acetamide
CID 13366226
N-[(3,5-dimethoxyphenyl)methyl]morpholin-4-amine
CID 83011668
N-[[5-(methoxymethyl)thiophen-2-yl]methyl]morpholin-4-amine
CID 53273822

Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylamino)acetonitrile;hydrochloride?
The IUPAC name of 2-(morpholin-4-ylamino)acetonitrile;hydrochloride (CID 10154291) is 2-(morpholin-4-ylamino)acetonitrile;hydrochloride.
What is the SMILES notation for 2-(morpholin-4-ylamino)acetonitrile;hydrochloride?
The canonical SMILES for 2-(morpholin-4-ylamino)acetonitrile;hydrochloride is Cl.N#CCNN1CCOCC1.
What is the InChIKey of 2-(morpholin-4-ylamino)acetonitrile;hydrochloride?
The InChIKey is VNMOQPWVEBOBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O.ClH/c7-1-2-8-9-3-5-10-6-4-9;/h8H,2-6H2;1H.
What are the key properties of 2-(morpholin-4-ylamino)acetonitrile;hydrochloride?
2-(morpholin-4-ylamino)acetonitrile;hydrochloride has a molecular weight of 177.63 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylamino)acetonitrile;hydrochloride is sourced from PubChem (CID 10154291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).