N-[(1R,2R,6S)-6-amino-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide

C13H24N2O2 — CID 68789403

IUPACN-[(1R,2R,6S)-6-amino-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
SMILESCCC(CC)O[C@@H]1C=CC[C@H](N)[C@H]1NC(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)/t11-,12+,13+/m0/s1
InChIKeyAHDLUQHLWGVSNL-YNEHKIRRSA-N
MW240.35 g/mol
LogP1.35
Rot. Bonds5

About N-[(1R,2R,6S)-6-amino-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide

N-[(1R,2R,6S)-6-amino-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide (PubChem CID 68789403) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[(1R,2R,6S)-6-amino-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R,6S)-6-amino-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
PubChem CID68789403
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[(1R,2R,6S)-6-amino-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
SMILESCCC(CC)O[C@@H]1C=CC[C@H](N)[C@H]1NC(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)/t11-,12+,13+/m0/s1
InChIKeyAHDLUQHLWGVSNL-YNEHKIRRSA-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-[(1R,2R,6S)-6-amino-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide?
The IUPAC name of N-[(1R,2R,6S)-6-amino-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide (CID 68789403) is N-[(1R,2R,6S)-6-amino-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide.
What is the SMILES notation for N-[(1R,2R,6S)-6-amino-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide?
The canonical SMILES for N-[(1R,2R,6S)-6-amino-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide is CCC(CC)O[C@@H]1C=CC[C@H](N)[C@H]1NC(C)=O.
What is the InChIKey of N-[(1R,2R,6S)-6-amino-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide?
The InChIKey is AHDLUQHLWGVSNL-YNEHKIRRSA-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)/t11-,12+,13+/m0/s1.
What are the key properties of N-[(1R,2R,6S)-6-amino-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide?
N-[(1R,2R,6S)-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-[(1R,2R,6S)-6-amino-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide is sourced from PubChem (CID 68789403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).