(E)-6-aminohex-5-ene-1,1-diol

C6H13NO2 — CID 163840994

IUPAC(E)-6-aminohex-5-ene-1,1-diol
SMILESN/C=C/CCCC(O)O
InChIInChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h3,5-6,8-9H,1-2,4,7H2/b5-3+
InChIKeyOLZFTZFHHKWEQI-HWKANZROSA-N
MW131.18 g/mol
LogP-0.06
Rot. Bonds4

About (E)-6-aminohex-5-ene-1,1-diol

(E)-6-aminohex-5-ene-1,1-diol (PubChem CID 163840994) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is (E)-6-aminohex-5-ene-1,1-diol.

Molecular Properties

Compound Name(E)-6-aminohex-5-ene-1,1-diol
PubChem CID163840994
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name(E)-6-aminohex-5-ene-1,1-diol
SMILESN/C=C/CCCC(O)O
InChIInChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h3,5-6,8-9H,1-2,4,7H2/b5-3+
InChIKeyOLZFTZFHHKWEQI-HWKANZROSA-N
XLogP-0.06
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-Aminohex-5-ene-1,1-diol
CID 87757846
(E)-6-aminohex-5-en-1-ol
CID 88631413
(Z)-6-aminohex-5-en-1-ol
CID 89518620
(Z)-10-aminodec-9-ene-1,1-diol
CID 117754155
(E)-7-(hydroxyamino)hept-6-en-1-ol
CID 163843969
6-Aminohex-5-ene-1,2-diol
CID 173118223
(E,2S)-2,6-diaminohex-5-ene-1,1-diol
CID 176936728

Frequently Asked Questions

What is the IUPAC name of (E)-6-aminohex-5-ene-1,1-diol?
The IUPAC name of (E)-6-aminohex-5-ene-1,1-diol (CID 163840994) is (E)-6-aminohex-5-ene-1,1-diol.
What is the SMILES notation for (E)-6-aminohex-5-ene-1,1-diol?
The canonical SMILES for (E)-6-aminohex-5-ene-1,1-diol is N/C=C/CCCC(O)O.
What is the InChIKey of (E)-6-aminohex-5-ene-1,1-diol?
The InChIKey is OLZFTZFHHKWEQI-HWKANZROSA-N. The full InChI is InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h3,5-6,8-9H,1-2,4,7H2/b5-3+.
What are the key properties of (E)-6-aminohex-5-ene-1,1-diol?
(E)-6-aminohex-5-ene-1,1-diol has a molecular weight of 131.18 g/mol, XLogP of -0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-aminohex-5-ene-1,1-diol is sourced from PubChem (CID 163840994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).