2-(2-azidoethylamino)-2-(4-methylcyclohexyl)acetamide

C11H21N5O — CID 66190841

IUPAC2-(2-azidoethylamino)-2-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(C(NCCN=[N+]=[N-])C(N)=O)CC1
InChIInChI=1S/C11H21N5O/c1-8-2-4-9(5-3-8)10(11(12)17)14-6-7-15-16-13/h8-10,14H,2-7H2,1H3,(H2,12,17)
InChIKeyGNEFCZOIDZUHLM-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.57
Rot. Bonds6

About 2-(2-azidoethylamino)-2-(4-methylcyclohexyl)acetamide

2-(2-azidoethylamino)-2-(4-methylcyclohexyl)acetamide (PubChem CID 66190841) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(2-azidoethylamino)-2-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(2-azidoethylamino)-2-(4-methylcyclohexyl)acetamide
PubChem CID66190841
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-(2-azidoethylamino)-2-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(C(NCCN=[N+]=[N-])C(N)=O)CC1
InChIInChI=1S/C11H21N5O/c1-8-2-4-9(5-3-8)10(11(12)17)14-6-7-15-16-13/h8-10,14H,2-7H2,1H3,(H2,12,17)
InChIKeyGNEFCZOIDZUHLM-UHFFFAOYSA-N
XLogP1.57
TPSA103.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.57
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-azidoethylamino)-2-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-(2-azidoethylamino)-2-(4-methylcyclohexyl)acetamide (CID 66190841) is 2-(2-azidoethylamino)-2-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(2-azidoethylamino)-2-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(2-azidoethylamino)-2-(4-methylcyclohexyl)acetamide is CC1CCC(C(NCCN=[N+]=[N-])C(N)=O)CC1.
What is the InChIKey of 2-(2-azidoethylamino)-2-(4-methylcyclohexyl)acetamide?
The InChIKey is GNEFCZOIDZUHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-8-2-4-9(5-3-8)10(11(12)17)14-6-7-15-16-13/h8-10,14H,2-7H2,1H3,(H2,12,17).
What are the key properties of 2-(2-azidoethylamino)-2-(4-methylcyclohexyl)acetamide?
2-(2-azidoethylamino)-2-(4-methylcyclohexyl)acetamide has a molecular weight of 239.32 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethylamino)-2-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 66190841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).