3-iminooctan-1-ol

C8H17NO — CID 57224710

IUPAC3-iminooctan-1-ol
SMILES[H]/N=C(\CCO)CCCCC
InChIInChI=1S/C8H17NO/c1-2-3-4-5-8(9)6-7-10/h9-10H,2-7H2,1H3/b9-8-
InChIKeyKRFWTZSFJIFXJY-HJWRWDBZSA-N
MW143.23 g/mol
LogP1.97
Rot. Bonds6

About 3-iminooctan-1-ol

3-iminooctan-1-ol (PubChem CID 57224710) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-iminooctan-1-ol.

Molecular Properties

Compound Name3-iminooctan-1-ol
PubChem CID57224710
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-iminooctan-1-ol
SMILES[H]/N=C(\CCO)CCCCC
InChIInChI=1S/C8H17NO/c1-2-3-4-5-8(9)6-7-10/h9-10H,2-7H2,1H3/b9-8-
InChIKeyKRFWTZSFJIFXJY-HJWRWDBZSA-N
XLogP1.97
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iminooctan-1-ol?
The IUPAC name of 3-iminooctan-1-ol (CID 57224710) is 3-iminooctan-1-ol.
What is the SMILES notation for 3-iminooctan-1-ol?
The canonical SMILES for 3-iminooctan-1-ol is [H]/N=C(\CCO)CCCCC.
What is the InChIKey of 3-iminooctan-1-ol?
The InChIKey is KRFWTZSFJIFXJY-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H17NO/c1-2-3-4-5-8(9)6-7-10/h9-10H,2-7H2,1H3/b9-8-.
What are the key properties of 3-iminooctan-1-ol?
3-iminooctan-1-ol has a molecular weight of 143.23 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iminooctan-1-ol is sourced from PubChem (CID 57224710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).