1-[3-(methylamino)cyclohexyl]ethenol

C9H17NO — CID 89343275

IUPAC1-[3-(methylamino)cyclohexyl]ethenol
SMILESC=C(O)C1CCCC(NC)C1
InChIInChI=1S/C9H17NO/c1-7(11)8-4-3-5-9(6-8)10-2/h8-11H,1,3-6H2,2H3
InChIKeyBCJBURJGAFXECA-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.84
Rot. Bonds2

About 1-[3-(methylamino)cyclohexyl]ethenol

1-[3-(methylamino)cyclohexyl]ethenol (PubChem CID 89343275) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-[3-(methylamino)cyclohexyl]ethenol.

Molecular Properties

Compound Name1-[3-(methylamino)cyclohexyl]ethenol
PubChem CID89343275
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-[3-(methylamino)cyclohexyl]ethenol
SMILESC=C(O)C1CCCC(NC)C1
InChIInChI=1S/C9H17NO/c1-7(11)8-4-3-5-9(6-8)10-2/h8-11H,1,3-6H2,2H3
InChIKeyBCJBURJGAFXECA-UHFFFAOYSA-N
XLogP1.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)cyclohexyl]ethenol?
The IUPAC name of 1-[3-(methylamino)cyclohexyl]ethenol (CID 89343275) is 1-[3-(methylamino)cyclohexyl]ethenol.
What is the SMILES notation for 1-[3-(methylamino)cyclohexyl]ethenol?
The canonical SMILES for 1-[3-(methylamino)cyclohexyl]ethenol is C=C(O)C1CCCC(NC)C1.
What is the InChIKey of 1-[3-(methylamino)cyclohexyl]ethenol?
The InChIKey is BCJBURJGAFXECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(11)8-4-3-5-9(6-8)10-2/h8-11H,1,3-6H2,2H3.
What are the key properties of 1-[3-(methylamino)cyclohexyl]ethenol?
1-[3-(methylamino)cyclohexyl]ethenol has a molecular weight of 155.24 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)cyclohexyl]ethenol is sourced from PubChem (CID 89343275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).