3-(2-aminoethylamino)propanenitrile;N-(2-aminoethyl)hydroxylamine

C7H19N5O — CID 174815402

IUPAC3-(2-aminoethylamino)propanenitrile;N-(2-aminoethyl)hydroxylamine
SMILESN#CCCNCCN.NCCNO
InChIInChI=1S/C5H11N3.C2H8N2O/c6-2-1-4-8-5-3-7;3-1-2-4-5/h8H,1,3-5,7H2;4-5H,1-3H2
InChIKeyQGYBOXOIUBWAHP-UHFFFAOYSA-N
MW189.26 g/mol
LogP-1.63
Rot. Bonds6

About 3-(2-aminoethylamino)propanenitrile;N-(2-aminoethyl)hydroxylamine

3-(2-aminoethylamino)propanenitrile;N-(2-aminoethyl)hydroxylamine (PubChem CID 174815402) has the molecular formula C7H19N5O and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-(2-aminoethylamino)propanenitrile;N-(2-aminoethyl)hydroxylamine.

Molecular Properties

Compound Name3-(2-aminoethylamino)propanenitrile;N-(2-aminoethyl)hydroxylamine
PubChem CID174815402
Molecular FormulaC7H19N5O
Molecular Weight189.26 g/mol
Exact Mass189.16
IUPAC Name3-(2-aminoethylamino)propanenitrile;N-(2-aminoethyl)hydroxylamine
SMILESN#CCCNCCN.NCCNO
InChIInChI=1S/C5H11N3.C2H8N2O/c6-2-1-4-8-5-3-7;3-1-2-4-5/h8H,1,3-5,7H2;4-5H,1-3H2
InChIKeyQGYBOXOIUBWAHP-UHFFFAOYSA-N
XLogP-1.63
TPSA120.12 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-1.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[2-(3-aminopropylamino)ethylamino]propanenitrile
CID 87435934
3-(10-aminodecylamino)propanenitrile
CID 129353819
3-(2-cyanoethylamino)propanenitrile
CID 160846337
2-[2-(2-aminoethylamino)ethylamino]acetonitrile
CID 55285258
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
N-(2-aminoethyl)hydroxylamine;butane
CID 22159511
acetic acid;N-[2-(2-aminoethylamino)ethyl]hydroxylamine
CID 158884370
3-(hex-5-ynylamino)propanenitrile
CID 106211843
3-[3-[2-cyanoethyl-[3-(2-cyanoethylamino)propyl]amino]propylamino]propanenitrile
CID 102421593
3-aminopropanenitrile;3-(methylamino)propanenitrile
CID 18629772
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride
CID 10150970

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethylamino)propanenitrile;N-(2-aminoethyl)hydroxylamine?
The IUPAC name of 3-(2-aminoethylamino)propanenitrile;N-(2-aminoethyl)hydroxylamine (CID 174815402) is 3-(2-aminoethylamino)propanenitrile;N-(2-aminoethyl)hydroxylamine.
What is the SMILES notation for 3-(2-aminoethylamino)propanenitrile;N-(2-aminoethyl)hydroxylamine?
The canonical SMILES for 3-(2-aminoethylamino)propanenitrile;N-(2-aminoethyl)hydroxylamine is N#CCCNCCN.NCCNO.
What is the InChIKey of 3-(2-aminoethylamino)propanenitrile;N-(2-aminoethyl)hydroxylamine?
The InChIKey is QGYBOXOIUBWAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3.C2H8N2O/c6-2-1-4-8-5-3-7;3-1-2-4-5/h8H,1,3-5,7H2;4-5H,1-3H2.
What are the key properties of 3-(2-aminoethylamino)propanenitrile;N-(2-aminoethyl)hydroxylamine?
3-(2-aminoethylamino)propanenitrile;N-(2-aminoethyl)hydroxylamine has a molecular weight of 189.26 g/mol, XLogP of -1.63, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethylamino)propanenitrile;N-(2-aminoethyl)hydroxylamine is sourced from PubChem (CID 174815402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).