2-[2-(2-aminoethylamino)ethylamino]acetonitrile

C6H14N4 — CID 55285258

IUPAC2-[2-(2-aminoethylamino)ethylamino]acetonitrile
SMILESN#CCNCCNCCN
InChIInChI=1S/C6H14N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1,3-7H2
InChIKeyBZWKPZZJPMEIEB-UHFFFAOYSA-N
MW142.21 g/mol
LogP-1.35
Rot. Bonds6

About 2-[2-(2-aminoethylamino)ethylamino]acetonitrile

2-[2-(2-aminoethylamino)ethylamino]acetonitrile (PubChem CID 55285258) has the molecular formula C6H14N4 and a molecular weight of 142.21 g/mol. Its IUPAC name is 2-[2-(2-aminoethylamino)ethylamino]acetonitrile.

Molecular Properties

Compound Name2-[2-(2-aminoethylamino)ethylamino]acetonitrile
PubChem CID55285258
Molecular FormulaC6H14N4
Molecular Weight142.21 g/mol
Exact Mass142.12
IUPAC Name2-[2-(2-aminoethylamino)ethylamino]acetonitrile
SMILESN#CCNCCNCCN
InChIInChI=1S/C6H14N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1,3-7H2
InChIKeyBZWKPZZJPMEIEB-UHFFFAOYSA-N
XLogP-1.35
TPSA73.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.21
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
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-(3-aminopropylamino)acetonitrile
CID 62273668
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-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride
CID 10150970
2-(aminomethylamino)acetonitrile
CID 54405021
4-(cyanomethylamino)butanenitrile
CID 91395805
3-[2-(3-aminopropylamino)ethylamino]propanenitrile
CID 87435934
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;ethene
CID 159799374
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687
3-(2-aminoethylamino)propanenitrile;N-(2-aminoethyl)hydroxylamine
CID 174815402
λ2-plumbane;N'-[2-(methylamino)ethyl]ethane-1,2-diamine
CID 174769058
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;2-methylprop-1-ene
CID 88832699

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethylamino)ethylamino]acetonitrile?
The IUPAC name of 2-[2-(2-aminoethylamino)ethylamino]acetonitrile (CID 55285258) is 2-[2-(2-aminoethylamino)ethylamino]acetonitrile.
What is the SMILES notation for 2-[2-(2-aminoethylamino)ethylamino]acetonitrile?
The canonical SMILES for 2-[2-(2-aminoethylamino)ethylamino]acetonitrile is N#CCNCCNCCN.
What is the InChIKey of 2-[2-(2-aminoethylamino)ethylamino]acetonitrile?
The InChIKey is BZWKPZZJPMEIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1,3-7H2.
What are the key properties of 2-[2-(2-aminoethylamino)ethylamino]acetonitrile?
2-[2-(2-aminoethylamino)ethylamino]acetonitrile has a molecular weight of 142.21 g/mol, XLogP of -1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethylamino)ethylamino]acetonitrile is sourced from PubChem (CID 55285258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).