2-(3-azidopropylamino)-2-cyclopentylpropanenitrile

C11H19N5 — CID 66188885

IUPAC2-(3-azidopropylamino)-2-cyclopentylpropanenitrile
SMILESCC(C#N)(NCCCN=[N+]=[N-])C1CCCC1
InChIInChI=1S/C11H19N5/c1-11(9-12,10-5-2-3-6-10)14-7-4-8-15-16-13/h10,14H,2-8H2,1H3
InChIKeyVFSPFZBAQZNRFP-UHFFFAOYSA-N
MW221.31 g/mol
LogP2.75
Rot. Bonds6

About 2-(3-azidopropylamino)-2-cyclopentylpropanenitrile

2-(3-azidopropylamino)-2-cyclopentylpropanenitrile (PubChem CID 66188885) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 2-(3-azidopropylamino)-2-cyclopentylpropanenitrile.

Molecular Properties

Compound Name2-(3-azidopropylamino)-2-cyclopentylpropanenitrile
PubChem CID66188885
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name2-(3-azidopropylamino)-2-cyclopentylpropanenitrile
SMILESCC(C#N)(NCCCN=[N+]=[N-])C1CCCC1
InChIInChI=1S/C11H19N5/c1-11(9-12,10-5-2-3-6-10)14-7-4-8-15-16-13/h10,14H,2-8H2,1H3
InChIKeyVFSPFZBAQZNRFP-UHFFFAOYSA-N
XLogP2.75
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-(3-azidopropylamino)-2-cyclopentylpropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidopropylamino)-2-cyclopentylpropanenitrile?
The IUPAC name of 2-(3-azidopropylamino)-2-cyclopentylpropanenitrile (CID 66188885) is 2-(3-azidopropylamino)-2-cyclopentylpropanenitrile.
What is the SMILES notation for 2-(3-azidopropylamino)-2-cyclopentylpropanenitrile?
The canonical SMILES for 2-(3-azidopropylamino)-2-cyclopentylpropanenitrile is CC(C#N)(NCCCN=[N+]=[N-])C1CCCC1.
What is the InChIKey of 2-(3-azidopropylamino)-2-cyclopentylpropanenitrile?
The InChIKey is VFSPFZBAQZNRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-11(9-12,10-5-2-3-6-10)14-7-4-8-15-16-13/h10,14H,2-8H2,1H3.
What are the key properties of 2-(3-azidopropylamino)-2-cyclopentylpropanenitrile?
2-(3-azidopropylamino)-2-cyclopentylpropanenitrile has a molecular weight of 221.31 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidopropylamino)-2-cyclopentylpropanenitrile is sourced from PubChem (CID 66188885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).