(E)-2-aminodec-4-ene-1,3-diol

C10H21NO2 — CID 14731828

IUPAC(E)-2-aminodec-4-ene-1,3-diol
SMILESCCCCC/C=C/C(O)C(N)CO
InChIInChI=1S/C10H21NO2/c1-2-3-4-5-6-7-10(13)9(11)8-12/h6-7,9-10,12-13H,2-5,8,11H2,1H3/b7-6+
InChIKeySVBOJQHSJYZATL-VOTSOKGWSA-N
MW187.28 g/mol
LogP0.80
Rot. Bonds7

About (E)-2-aminodec-4-ene-1,3-diol

(E)-2-aminodec-4-ene-1,3-diol (PubChem CID 14731828) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (E)-2-aminodec-4-ene-1,3-diol.

Molecular Properties

Compound Name(E)-2-aminodec-4-ene-1,3-diol
PubChem CID14731828
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(E)-2-aminodec-4-ene-1,3-diol
SMILESCCCCC/C=C/C(O)C(N)CO
InChIInChI=1S/C10H21NO2/c1-2-3-4-5-6-7-10(13)9(11)8-12/h6-7,9-10,12-13H,2-5,8,11H2,1H3/b7-6+
InChIKeySVBOJQHSJYZATL-VOTSOKGWSA-N
XLogP0.80
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 (E)-2-aminodec-4-ene-1,3-diol?
The IUPAC name of (E)-2-aminodec-4-ene-1,3-diol (CID 14731828) is (E)-2-aminodec-4-ene-1,3-diol.
What is the SMILES notation for (E)-2-aminodec-4-ene-1,3-diol?
The canonical SMILES for (E)-2-aminodec-4-ene-1,3-diol is CCCCC/C=C/C(O)C(N)CO.
What is the InChIKey of (E)-2-aminodec-4-ene-1,3-diol?
The InChIKey is SVBOJQHSJYZATL-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H21NO2/c1-2-3-4-5-6-7-10(13)9(11)8-12/h6-7,9-10,12-13H,2-5,8,11H2,1H3/b7-6+.
What are the key properties of (E)-2-aminodec-4-ene-1,3-diol?
(E)-2-aminodec-4-ene-1,3-diol has a molecular weight of 187.28 g/mol, XLogP of 0.80, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-aminodec-4-ene-1,3-diol is sourced from PubChem (CID 14731828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).