2-(5-azidopent-1-ynyl)-N-methylaniline

C12H14N4 — CID 135085956

IUPAC2-(5-azidopent-1-ynyl)-N-methylaniline
SMILESCNc1ccccc1C#CCCCN=[N+]=[N-]
InChIInChI=1S/C12H14N4/c1-14-12-9-5-4-8-11(12)7-3-2-6-10-15-16-13/h4-5,8-9,14H,2,6,10H2,1H3
InChIKeyKYCIMMPVBWEMDW-UHFFFAOYSA-N
MW214.27 g/mol
LogP3.17
Rot. Bonds4

About 2-(5-azidopent-1-ynyl)-N-methylaniline

2-(5-azidopent-1-ynyl)-N-methylaniline (PubChem CID 135085956) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-(5-azidopent-1-ynyl)-N-methylaniline.

Molecular Properties

Compound Name2-(5-azidopent-1-ynyl)-N-methylaniline
PubChem CID135085956
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name2-(5-azidopent-1-ynyl)-N-methylaniline
SMILESCNc1ccccc1C#CCCCN=[N+]=[N-]
InChIInChI=1S/C12H14N4/c1-14-12-9-5-4-8-11(12)7-3-2-6-10-15-16-13/h4-5,8-9,14H,2,6,10H2,1H3
InChIKeyKYCIMMPVBWEMDW-UHFFFAOYSA-N
XLogP3.17
TPSA60.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 2-(5-azidopent-1-ynyl)-N-methylaniline?
The IUPAC name of 2-(5-azidopent-1-ynyl)-N-methylaniline (CID 135085956) is 2-(5-azidopent-1-ynyl)-N-methylaniline.
What is the SMILES notation for 2-(5-azidopent-1-ynyl)-N-methylaniline?
The canonical SMILES for 2-(5-azidopent-1-ynyl)-N-methylaniline is CNc1ccccc1C#CCCCN=[N+]=[N-].
What is the InChIKey of 2-(5-azidopent-1-ynyl)-N-methylaniline?
The InChIKey is KYCIMMPVBWEMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-14-12-9-5-4-8-11(12)7-3-2-6-10-15-16-13/h4-5,8-9,14H,2,6,10H2,1H3.
What are the key properties of 2-(5-azidopent-1-ynyl)-N-methylaniline?
2-(5-azidopent-1-ynyl)-N-methylaniline has a molecular weight of 214.27 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-azidopent-1-ynyl)-N-methylaniline is sourced from PubChem (CID 135085956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).