2-(3-azidopropylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)acetamide

C13H23N5O — CID 103277372

IUPAC2-(3-azidopropylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)acetamide
SMILESCC1=CC(C)CC(C(NCCCN=[N+]=[N-])C(N)=O)C1
InChIInChI=1S/C13H23N5O/c1-9-6-10(2)8-11(7-9)12(13(14)19)16-4-3-5-17-18-15/h6,9,11-12,16H,3-5,7-8H2,1-2H3,(H2,14,19)
InChIKeyAPZCWVNAXHYWNM-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.12
Rot. Bonds7

About 2-(3-azidopropylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)acetamide

2-(3-azidopropylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)acetamide (PubChem CID 103277372) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(3-azidopropylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)acetamide.

Molecular Properties

Compound Name2-(3-azidopropylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)acetamide
PubChem CID103277372
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-(3-azidopropylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)acetamide
SMILESCC1=CC(C)CC(C(NCCCN=[N+]=[N-])C(N)=O)C1
InChIInChI=1S/C13H23N5O/c1-9-6-10(2)8-11(7-9)12(13(14)19)16-4-3-5-17-18-15/h6,9,11-12,16H,3-5,7-8H2,1-2H3,(H2,14,19)
InChIKeyAPZCWVNAXHYWNM-UHFFFAOYSA-N
XLogP2.12
TPSA103.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
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-(3-azidopropylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)acetamide?
The IUPAC name of 2-(3-azidopropylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)acetamide (CID 103277372) is 2-(3-azidopropylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)acetamide.
What is the SMILES notation for 2-(3-azidopropylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)acetamide?
The canonical SMILES for 2-(3-azidopropylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)acetamide is CC1=CC(C)CC(C(NCCCN=[N+]=[N-])C(N)=O)C1.
What is the InChIKey of 2-(3-azidopropylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)acetamide?
The InChIKey is APZCWVNAXHYWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-9-6-10(2)8-11(7-9)12(13(14)19)16-4-3-5-17-18-15/h6,9,11-12,16H,3-5,7-8H2,1-2H3,(H2,14,19).
What are the key properties of 2-(3-azidopropylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)acetamide?
2-(3-azidopropylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)acetamide has a molecular weight of 265.36 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidopropylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)acetamide is sourced from PubChem (CID 103277372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).