(Z)-6-aminohex-2-en-1-ol

C6H13NO — CID 5466592

IUPAC(Z)-6-aminohex-2-en-1-ol
SMILESNCCC/C=C\CO
InChIInChI=1S/C6H13NO/c7-5-3-1-2-4-6-8/h2,4,8H,1,3,5-7H2/b4-2-
InChIKeyVGCCWFWWDWZAFB-RQOWECAXSA-N
MW115.18 g/mol
LogP0.27
Rot. Bonds4

About (Z)-6-aminohex-2-en-1-ol

(Z)-6-aminohex-2-en-1-ol (PubChem CID 5466592) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (Z)-6-aminohex-2-en-1-ol.

Molecular Properties

Compound Name(Z)-6-aminohex-2-en-1-ol
PubChem CID5466592
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(Z)-6-aminohex-2-en-1-ol
SMILESNCCC/C=C\CO
InChIInChI=1S/C6H13NO/c7-5-3-1-2-4-6-8/h2,4,8H,1,3,5-7H2/b4-2-
InChIKeyVGCCWFWWDWZAFB-RQOWECAXSA-N
XLogP0.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-6-aminohex-2-en-1-ol?
The IUPAC name of (Z)-6-aminohex-2-en-1-ol (CID 5466592) is (Z)-6-aminohex-2-en-1-ol.
What is the SMILES notation for (Z)-6-aminohex-2-en-1-ol?
The canonical SMILES for (Z)-6-aminohex-2-en-1-ol is NCCC/C=C\CO.
What is the InChIKey of (Z)-6-aminohex-2-en-1-ol?
The InChIKey is VGCCWFWWDWZAFB-RQOWECAXSA-N. The full InChI is InChI=1S/C6H13NO/c7-5-3-1-2-4-6-8/h2,4,8H,1,3,5-7H2/b4-2-.
What are the key properties of (Z)-6-aminohex-2-en-1-ol?
(Z)-6-aminohex-2-en-1-ol has a molecular weight of 115.18 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-aminohex-2-en-1-ol is sourced from PubChem (CID 5466592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).