2-ethyl-5-iminohexan-1-ol

C8H17NO — CID 91428733

IUPAC2-ethyl-5-iminohexan-1-ol
SMILES[H]/N=C(\C)CCC(CC)CO
InChIInChI=1S/C8H17NO/c1-3-8(6-10)5-4-7(2)9/h8-10H,3-6H2,1-2H3/b9-7+
InChIKeyUNFYCNFYOJAFJE-VQHVLOKHSA-N
MW143.23 g/mol
LogP1.82
Rot. Bonds5

About 2-ethyl-5-iminohexan-1-ol

2-ethyl-5-iminohexan-1-ol (PubChem CID 91428733) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-ethyl-5-iminohexan-1-ol.

Molecular Properties

Compound Name2-ethyl-5-iminohexan-1-ol
PubChem CID91428733
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-ethyl-5-iminohexan-1-ol
SMILES[H]/N=C(\C)CCC(CC)CO
InChIInChI=1S/C8H17NO/c1-3-8(6-10)5-4-7(2)9/h8-10H,3-6H2,1-2H3/b9-7+
InChIKeyUNFYCNFYOJAFJE-VQHVLOKHSA-N
XLogP1.82
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-iminohexan-1-ol?
The IUPAC name of 2-ethyl-5-iminohexan-1-ol (CID 91428733) is 2-ethyl-5-iminohexan-1-ol.
What is the SMILES notation for 2-ethyl-5-iminohexan-1-ol?
The canonical SMILES for 2-ethyl-5-iminohexan-1-ol is [H]/N=C(\C)CCC(CC)CO.
What is the InChIKey of 2-ethyl-5-iminohexan-1-ol?
The InChIKey is UNFYCNFYOJAFJE-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-8(6-10)5-4-7(2)9/h8-10H,3-6H2,1-2H3/b9-7+.
What are the key properties of 2-ethyl-5-iminohexan-1-ol?
2-ethyl-5-iminohexan-1-ol has a molecular weight of 143.23 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-iminohexan-1-ol is sourced from PubChem (CID 91428733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).