(E)-3-amino-4-ethyldec-5-en-1-ol

C12H25NO — CID 89126658

IUPAC(E)-3-amino-4-ethyldec-5-en-1-ol
SMILESCCCC/C=C/C(CC)C(N)CCO
InChIInChI=1S/C12H25NO/c1-3-5-6-7-8-11(4-2)12(13)9-10-14/h7-8,11-12,14H,3-6,9-10,13H2,1-2H3/b8-7+
InChIKeyICTOXKVCAHGDGF-BQYQJAHWSA-N
MW199.34 g/mol
LogP2.47
Rot. Bonds8

About (E)-3-amino-4-ethyldec-5-en-1-ol

(E)-3-amino-4-ethyldec-5-en-1-ol (PubChem CID 89126658) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (E)-3-amino-4-ethyldec-5-en-1-ol.

Molecular Properties

Compound Name(E)-3-amino-4-ethyldec-5-en-1-ol
PubChem CID89126658
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(E)-3-amino-4-ethyldec-5-en-1-ol
SMILESCCCC/C=C/C(CC)C(N)CCO
InChIInChI=1S/C12H25NO/c1-3-5-6-7-8-11(4-2)12(13)9-10-14/h7-8,11-12,14H,3-6,9-10,13H2,1-2H3/b8-7+
InChIKeyICTOXKVCAHGDGF-BQYQJAHWSA-N
XLogP2.47
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.47
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 (E)-3-amino-4-ethyldec-5-en-1-ol?
The IUPAC name of (E)-3-amino-4-ethyldec-5-en-1-ol (CID 89126658) is (E)-3-amino-4-ethyldec-5-en-1-ol.
What is the SMILES notation for (E)-3-amino-4-ethyldec-5-en-1-ol?
The canonical SMILES for (E)-3-amino-4-ethyldec-5-en-1-ol is CCCC/C=C/C(CC)C(N)CCO.
What is the InChIKey of (E)-3-amino-4-ethyldec-5-en-1-ol?
The InChIKey is ICTOXKVCAHGDGF-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-5-6-7-8-11(4-2)12(13)9-10-14/h7-8,11-12,14H,3-6,9-10,13H2,1-2H3/b8-7+.
What are the key properties of (E)-3-amino-4-ethyldec-5-en-1-ol?
(E)-3-amino-4-ethyldec-5-en-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-4-ethyldec-5-en-1-ol is sourced from PubChem (CID 89126658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).