6-aminohex-4-en-1-ol

C6H13NO — CID 56985556

IUPAC6-aminohex-4-en-1-ol
SMILESNCC=CCCCO
InChIInChI=1S/C6H13NO/c7-5-3-1-2-4-6-8/h1,3,8H,2,4-7H2
InChIKeyQCESBVISIYNKHW-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.27
Rot. Bonds4

About 6-aminohex-4-en-1-ol

6-aminohex-4-en-1-ol (PubChem CID 56985556) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 6-aminohex-4-en-1-ol.

Molecular Properties

Compound Name6-aminohex-4-en-1-ol
PubChem CID56985556
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name6-aminohex-4-en-1-ol
SMILESNCC=CCCCO
InChIInChI=1S/C6H13NO/c7-5-3-1-2-4-6-8/h1,3,8H,2,4-7H2
InChIKeyQCESBVISIYNKHW-UHFFFAOYSA-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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Related Compounds

3-Aminopent-4-en-1-ol
CID 15533288
Dihydroxypropylallylamine
CID 129679370
(E,2R)-2-aminohex-4-en-1-ol
CID 11344006
2-Aminohex-4-en-1-ol
CID 11344109
(E)-5-amino-2-methylpent-3-en-1-ol
CID 15755226
(E)-5-aminopent-3-en-1-ol
CID 21608501
3-Aminohex-4-en-1-ol
CID 53984929
6-Aminooct-4-en-1-ol
CID 57048558
1-Aminooct-4-ene-1,8-diol
CID 57208307
(E)-8-aminooct-4-en-1-ol
CID 57958042
CID 72809968
CID 72809968
5-Aminopent-3-en-1-ol
CID 73801102

Frequently Asked Questions

What is the IUPAC name of 6-aminohex-4-en-1-ol?
The IUPAC name of 6-aminohex-4-en-1-ol (CID 56985556) is 6-aminohex-4-en-1-ol.
What is the SMILES notation for 6-aminohex-4-en-1-ol?
The canonical SMILES for 6-aminohex-4-en-1-ol is NCC=CCCCO.
What is the InChIKey of 6-aminohex-4-en-1-ol?
The InChIKey is QCESBVISIYNKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c7-5-3-1-2-4-6-8/h1,3,8H,2,4-7H2.
What are the key properties of 6-aminohex-4-en-1-ol?
6-aminohex-4-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 6-aminohex-4-en-1-ol is sourced from PubChem (CID 56985556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).