2-(2-azidoethylamino)-2-cyclohex-3-en-1-ylacetonitrile

C10H15N5 — CID 66191173

IUPAC2-(2-azidoethylamino)-2-cyclohex-3-en-1-ylacetonitrile
SMILESN#CC(NCCN=[N+]=[N-])C1CC=CCC1
InChIInChI=1S/C10H15N5/c11-8-10(13-6-7-14-15-12)9-4-2-1-3-5-9/h1-2,9-10,13H,3-7H2
InChIKeyVFABVCBOQVDZDF-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.13
Rot. Bonds5

About 2-(2-azidoethylamino)-2-cyclohex-3-en-1-ylacetonitrile

2-(2-azidoethylamino)-2-cyclohex-3-en-1-ylacetonitrile (PubChem CID 66191173) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(2-azidoethylamino)-2-cyclohex-3-en-1-ylacetonitrile.

Molecular Properties

Compound Name2-(2-azidoethylamino)-2-cyclohex-3-en-1-ylacetonitrile
PubChem CID66191173
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC Name2-(2-azidoethylamino)-2-cyclohex-3-en-1-ylacetonitrile
SMILESN#CC(NCCN=[N+]=[N-])C1CC=CCC1
InChIInChI=1S/C10H15N5/c11-8-10(13-6-7-14-15-12)9-4-2-1-3-5-9/h1-2,9-10,13H,3-7H2
InChIKeyVFABVCBOQVDZDF-UHFFFAOYSA-N
XLogP2.13
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.13
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-azidoethylamino)-2-cyclohex-3-en-1-ylacetonitrile?
The IUPAC name of 2-(2-azidoethylamino)-2-cyclohex-3-en-1-ylacetonitrile (CID 66191173) is 2-(2-azidoethylamino)-2-cyclohex-3-en-1-ylacetonitrile.
What is the SMILES notation for 2-(2-azidoethylamino)-2-cyclohex-3-en-1-ylacetonitrile?
The canonical SMILES for 2-(2-azidoethylamino)-2-cyclohex-3-en-1-ylacetonitrile is N#CC(NCCN=[N+]=[N-])C1CC=CCC1.
What is the InChIKey of 2-(2-azidoethylamino)-2-cyclohex-3-en-1-ylacetonitrile?
The InChIKey is VFABVCBOQVDZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c11-8-10(13-6-7-14-15-12)9-4-2-1-3-5-9/h1-2,9-10,13H,3-7H2.
What are the key properties of 2-(2-azidoethylamino)-2-cyclohex-3-en-1-ylacetonitrile?
2-(2-azidoethylamino)-2-cyclohex-3-en-1-ylacetonitrile has a molecular weight of 205.26 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethylamino)-2-cyclohex-3-en-1-ylacetonitrile is sourced from PubChem (CID 66191173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).