1-(2-azidoethylamino)cyclopropane-1-carbonitrile

C6H9N5 — CID 103439456

IUPAC1-(2-azidoethylamino)cyclopropane-1-carbonitrile
SMILESN#CC1(NCCN=[N+]=[N-])CC1
InChIInChI=1S/C6H9N5/c7-5-6(1-2-6)9-3-4-10-11-8/h9H,1-4H2
InChIKeyVEEAHVJSTXRZOD-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.94
Rot. Bonds4

About 1-(2-azidoethylamino)cyclopropane-1-carbonitrile

1-(2-azidoethylamino)cyclopropane-1-carbonitrile (PubChem CID 103439456) has the molecular formula C6H9N5 and a molecular weight of 151.17 g/mol. Its IUPAC name is 1-(2-azidoethylamino)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-azidoethylamino)cyclopropane-1-carbonitrile
PubChem CID103439456
Molecular FormulaC6H9N5
Molecular Weight151.17 g/mol
Exact Mass151.09
IUPAC Name1-(2-azidoethylamino)cyclopropane-1-carbonitrile
SMILESN#CC1(NCCN=[N+]=[N-])CC1
InChIInChI=1S/C6H9N5/c7-5-6(1-2-6)9-3-4-10-11-8/h9H,1-4H2
InChIKeyVEEAHVJSTXRZOD-UHFFFAOYSA-N
XLogP0.94
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.94
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'}

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Related Compounds

1-(2-azidoethylamino)-4,4-dimethylcycloheptane-1-carbonitrile
CID 66189797
1-(2-azidoethylamino)-4-methylcyclohexane-1-carbonitrile
CID 66189386
3-(2-azidoethylamino)oxolane-3-carbonitrile
CID 66189196
1-(2-azidoethylamino)-4-propylcyclohexane-1-carbonitrile
CID 66189787
4-(3-azidopropylamino)thiane-4-carbonitrile
CID 66188686
1-(3-azidopropylamino)-4-methylcyclohexane-1-carbonitrile
CID 66189282
3-(3-azidopropylamino)thiolane-3-carbonitrile
CID 66191470
1-(propylamino)cyclopropane-1-carbonitrile
CID 103439401
1-(3-azidopropylamino)-4-methylcycloheptane-1-carbonitrile
CID 66190467
1-(3-azidopropylamino)-3,3,5,5-tetramethylcyclohexane-1-carbonitrile
CID 112682425
1-(3-azidopropylamino)-4-propan-2-ylcycloheptane-1-carbonitrile
CID 66190465
1-(3-azidopropylamino)-3,4-dimethylcyclohexane-1-carbonitrile
CID 66189285

Frequently Asked Questions

What is the IUPAC name of 1-(2-azidoethylamino)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(2-azidoethylamino)cyclopropane-1-carbonitrile (CID 103439456) is 1-(2-azidoethylamino)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(2-azidoethylamino)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(2-azidoethylamino)cyclopropane-1-carbonitrile is N#CC1(NCCN=[N+]=[N-])CC1.
What is the InChIKey of 1-(2-azidoethylamino)cyclopropane-1-carbonitrile?
The InChIKey is VEEAHVJSTXRZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5/c7-5-6(1-2-6)9-3-4-10-11-8/h9H,1-4H2.
What are the key properties of 1-(2-azidoethylamino)cyclopropane-1-carbonitrile?
1-(2-azidoethylamino)cyclopropane-1-carbonitrile has a molecular weight of 151.17 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethylamino)cyclopropane-1-carbonitrile is sourced from PubChem (CID 103439456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).