3-[1-(2-aminocyclopenten-1-yl)ethylamino]propanenitrile

C10H17N3 — CID 142049199

IUPAC3-[1-(2-aminocyclopenten-1-yl)ethylamino]propanenitrile
SMILESCC(NCCC#N)C1=C(N)CCC1
InChIInChI=1S/C10H17N3/c1-8(13-7-3-6-11)9-4-2-5-10(9)12/h8,13H,2-5,7,12H2,1H3
InChIKeyJMJWURONJQUSFF-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.27
Rot. Bonds4

About 3-[1-(2-aminocyclopenten-1-yl)ethylamino]propanenitrile

3-[1-(2-aminocyclopenten-1-yl)ethylamino]propanenitrile (PubChem CID 142049199) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 3-[1-(2-aminocyclopenten-1-yl)ethylamino]propanenitrile.

Molecular Properties

Compound Name3-[1-(2-aminocyclopenten-1-yl)ethylamino]propanenitrile
PubChem CID142049199
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name3-[1-(2-aminocyclopenten-1-yl)ethylamino]propanenitrile
SMILESCC(NCCC#N)C1=C(N)CCC1
InChIInChI=1S/C10H17N3/c1-8(13-7-3-6-11)9-4-2-5-10(9)12/h8,13H,2-5,7,12H2,1H3
InChIKeyJMJWURONJQUSFF-UHFFFAOYSA-N
XLogP1.27
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-aminocyclopenten-1-yl)ethylamino]propanenitrile?
The IUPAC name of 3-[1-(2-aminocyclopenten-1-yl)ethylamino]propanenitrile (CID 142049199) is 3-[1-(2-aminocyclopenten-1-yl)ethylamino]propanenitrile.
What is the SMILES notation for 3-[1-(2-aminocyclopenten-1-yl)ethylamino]propanenitrile?
The canonical SMILES for 3-[1-(2-aminocyclopenten-1-yl)ethylamino]propanenitrile is CC(NCCC#N)C1=C(N)CCC1.
What is the InChIKey of 3-[1-(2-aminocyclopenten-1-yl)ethylamino]propanenitrile?
The InChIKey is JMJWURONJQUSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-8(13-7-3-6-11)9-4-2-5-10(9)12/h8,13H,2-5,7,12H2,1H3.
What are the key properties of 3-[1-(2-aminocyclopenten-1-yl)ethylamino]propanenitrile?
3-[1-(2-aminocyclopenten-1-yl)ethylamino]propanenitrile has a molecular weight of 179.27 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-aminocyclopenten-1-yl)ethylamino]propanenitrile is sourced from PubChem (CID 142049199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).