2-amino-1-[(1E)-cyclodecen-1-yl]ethanol

C12H23NO — CID 146330582

IUPAC2-amino-1-[(1E)-cyclodecen-1-yl]ethanol
SMILESNCC(O)/C1=C/CCCCCCCC1
InChIInChI=1S/C12H23NO/c13-10-12(14)11-8-6-4-2-1-3-5-7-9-11/h8,12,14H,1-7,9-10,13H2/b11-8+
InChIKeyVTDKLKAENPXYKB-DHZHZOJOSA-N
MW197.32 g/mol
LogP2.37
Rot. Bonds2

About 2-amino-1-[(1E)-cyclodecen-1-yl]ethanol

2-amino-1-[(1E)-cyclodecen-1-yl]ethanol (PubChem CID 146330582) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-amino-1-[(1E)-cyclodecen-1-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[(1E)-cyclodecen-1-yl]ethanol
PubChem CID146330582
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-amino-1-[(1E)-cyclodecen-1-yl]ethanol
SMILESNCC(O)/C1=C/CCCCCCCC1
InChIInChI=1S/C12H23NO/c13-10-12(14)11-8-6-4-2-1-3-5-7-9-11/h8,12,14H,1-7,9-10,13H2/b11-8+
InChIKeyVTDKLKAENPXYKB-DHZHZOJOSA-N
XLogP2.37
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-amino-1-[(1E)-cyclodecen-1-yl]ethanol?
The IUPAC name of 2-amino-1-[(1E)-cyclodecen-1-yl]ethanol (CID 146330582) is 2-amino-1-[(1E)-cyclodecen-1-yl]ethanol.
What is the SMILES notation for 2-amino-1-[(1E)-cyclodecen-1-yl]ethanol?
The canonical SMILES for 2-amino-1-[(1E)-cyclodecen-1-yl]ethanol is NCC(O)/C1=C/CCCCCCCC1.
What is the InChIKey of 2-amino-1-[(1E)-cyclodecen-1-yl]ethanol?
The InChIKey is VTDKLKAENPXYKB-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H23NO/c13-10-12(14)11-8-6-4-2-1-3-5-7-9-11/h8,12,14H,1-7,9-10,13H2/b11-8+.
What are the key properties of 2-amino-1-[(1E)-cyclodecen-1-yl]ethanol?
2-amino-1-[(1E)-cyclodecen-1-yl]ethanol has a molecular weight of 197.32 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(1E)-cyclodecen-1-yl]ethanol is sourced from PubChem (CID 146330582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).