4-methyliminocyclohexan-1-ol

C7H13NO — CID 21134184

IUPAC4-methyliminocyclohexan-1-ol
SMILESCN=C1CCC(O)CC1
InChIInChI=1S/C7H13NO/c1-8-6-2-4-7(9)5-3-6/h7,9H,2-5H2,1H3/b8-6-
InChIKeyKZLYVUGXARVYPF-VURMDHGXSA-N
MW127.19 g/mol
LogP0.99
Rot. Bonds

About 4-methyliminocyclohexan-1-ol

4-methyliminocyclohexan-1-ol (PubChem CID 21134184) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 4-methyliminocyclohexan-1-ol.

Molecular Properties

Compound Name4-methyliminocyclohexan-1-ol
PubChem CID21134184
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name4-methyliminocyclohexan-1-ol
SMILESCN=C1CCC(O)CC1
InChIInChI=1S/C7H13NO/c1-8-6-2-4-7(9)5-3-6/h7,9H,2-5H2,1H3/b8-6-
InChIKeyKZLYVUGXARVYPF-VURMDHGXSA-N
XLogP0.99
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.99
H-Bond Donors ≤ 51
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 4-methyliminocyclohexan-1-ol?
The IUPAC name of 4-methyliminocyclohexan-1-ol (CID 21134184) is 4-methyliminocyclohexan-1-ol.
What is the SMILES notation for 4-methyliminocyclohexan-1-ol?
The canonical SMILES for 4-methyliminocyclohexan-1-ol is CN=C1CCC(O)CC1.
What is the InChIKey of 4-methyliminocyclohexan-1-ol?
The InChIKey is KZLYVUGXARVYPF-VURMDHGXSA-N. The full InChI is InChI=1S/C7H13NO/c1-8-6-2-4-7(9)5-3-6/h7,9H,2-5H2,1H3/b8-6-.
What are the key properties of 4-methyliminocyclohexan-1-ol?
4-methyliminocyclohexan-1-ol has a molecular weight of 127.19 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyliminocyclohexan-1-ol is sourced from PubChem (CID 21134184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).