2-iminocyclohexan-1-ol

C6H11NO — CID 21113633

IUPAC2-iminocyclohexan-1-ol
SMILES[H]/N=C1\CCCCC1O
InChIInChI=1S/C6H11NO/c7-5-3-1-2-4-6(5)8/h6-8H,1-4H2/b7-5+
InChIKeyDAHJYNHEUTXRDJ-FNORWQNLSA-N
MW113.16 g/mol
LogP0.94
Rot. Bonds

About 2-iminocyclohexan-1-ol

2-iminocyclohexan-1-ol (PubChem CID 21113633) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-iminocyclohexan-1-ol.

Molecular Properties

Compound Name2-iminocyclohexan-1-ol
PubChem CID21113633
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2-iminocyclohexan-1-ol
SMILES[H]/N=C1\CCCCC1O
InChIInChI=1S/C6H11NO/c7-5-3-1-2-4-6(5)8/h6-8H,1-4H2/b7-5+
InChIKeyDAHJYNHEUTXRDJ-FNORWQNLSA-N
XLogP0.94
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.94
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-iminocyclohexan-1-ol?
The IUPAC name of 2-iminocyclohexan-1-ol (CID 21113633) is 2-iminocyclohexan-1-ol.
What is the SMILES notation for 2-iminocyclohexan-1-ol?
The canonical SMILES for 2-iminocyclohexan-1-ol is [H]/N=C1\CCCCC1O.
What is the InChIKey of 2-iminocyclohexan-1-ol?
The InChIKey is DAHJYNHEUTXRDJ-FNORWQNLSA-N. The full InChI is InChI=1S/C6H11NO/c7-5-3-1-2-4-6(5)8/h6-8H,1-4H2/b7-5+.
What are the key properties of 2-iminocyclohexan-1-ol?
2-iminocyclohexan-1-ol has a molecular weight of 113.16 g/mol, XLogP of 0.94, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iminocyclohexan-1-ol is sourced from PubChem (CID 21113633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).