N-(6-amino-2-pentan-3-yloxycyclohex-3-en-1-yl)acetamide

C13H24N2O2 — CID 69401741

IUPACN-(6-amino-2-pentan-3-yloxycyclohex-3-en-1-yl)acetamide
SMILESCCC(CC)OC1C=CCC(N)C1NC(C)=O
InChIInChI=1S/C13H24N2O2/c1-4-10(5-2)17-12-8-6-7-11(14)13(12)15-9(3)16/h6,8,10-13H,4-5,7,14H2,1-3H3,(H,15,16)
InChIKeyAHDLUQHLWGVSNL-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.35
Rot. Bonds5

About N-(6-amino-2-pentan-3-yloxycyclohex-3-en-1-yl)acetamide

N-(6-amino-2-pentan-3-yloxycyclohex-3-en-1-yl)acetamide (PubChem CID 69401741) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(6-amino-2-pentan-3-yloxycyclohex-3-en-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-amino-2-pentan-3-yloxycyclohex-3-en-1-yl)acetamide
PubChem CID69401741
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-(6-amino-2-pentan-3-yloxycyclohex-3-en-1-yl)acetamide
SMILESCCC(CC)OC1C=CCC(N)C1NC(C)=O
InChIInChI=1S/C13H24N2O2/c1-4-10(5-2)17-12-8-6-7-11(14)13(12)15-9(3)16/h6,8,10-13H,4-5,7,14H2,1-3H3,(H,15,16)
InChIKeyAHDLUQHLWGVSNL-UHFFFAOYSA-N
XLogP1.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-pentan-3-yloxycyclohex-3-en-1-yl)acetamide?
The IUPAC name of N-(6-amino-2-pentan-3-yloxycyclohex-3-en-1-yl)acetamide (CID 69401741) is N-(6-amino-2-pentan-3-yloxycyclohex-3-en-1-yl)acetamide.
What is the SMILES notation for N-(6-amino-2-pentan-3-yloxycyclohex-3-en-1-yl)acetamide?
The canonical SMILES for N-(6-amino-2-pentan-3-yloxycyclohex-3-en-1-yl)acetamide is CCC(CC)OC1C=CCC(N)C1NC(C)=O.
What is the InChIKey of N-(6-amino-2-pentan-3-yloxycyclohex-3-en-1-yl)acetamide?
The InChIKey is AHDLUQHLWGVSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-10(5-2)17-12-8-6-7-11(14)13(12)15-9(3)16/h6,8,10-13H,4-5,7,14H2,1-3H3,(H,15,16).
What are the key properties of N-(6-amino-2-pentan-3-yloxycyclohex-3-en-1-yl)acetamide?
N-(6-amino-2-pentan-3-yloxycyclohex-3-en-1-yl)acetamide has a molecular weight of 240.35 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2-pentan-3-yloxycyclohex-3-en-1-yl)acetamide is sourced from PubChem (CID 69401741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).