1-[(2-cyclohexylethylamino)methyl]cyclobutan-1-ol

C13H25NO — CID 115692767

IUPAC1-[(2-cyclohexylethylamino)methyl]cyclobutan-1-ol
SMILESOC1(CNCCC2CCCCC2)CCC1
InChIInChI=1S/C13H25NO/c15-13(8-4-9-13)11-14-10-7-12-5-2-1-3-6-12/h12,14-15H,1-11H2
InChIKeyGWSLNCSGMQAZEK-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.46
Rot. Bonds5

About 1-[(2-cyclohexylethylamino)methyl]cyclobutan-1-ol

1-[(2-cyclohexylethylamino)methyl]cyclobutan-1-ol (PubChem CID 115692767) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-[(2-cyclohexylethylamino)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[(2-cyclohexylethylamino)methyl]cyclobutan-1-ol
PubChem CID115692767
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-[(2-cyclohexylethylamino)methyl]cyclobutan-1-ol
SMILESOC1(CNCCC2CCCCC2)CCC1
InChIInChI=1S/C13H25NO/c15-13(8-4-9-13)11-14-10-7-12-5-2-1-3-6-12/h12,14-15H,1-11H2
InChIKeyGWSLNCSGMQAZEK-UHFFFAOYSA-N
XLogP2.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclohexylethylamino)methyl]cyclobutan-1-ol?
The IUPAC name of 1-[(2-cyclohexylethylamino)methyl]cyclobutan-1-ol (CID 115692767) is 1-[(2-cyclohexylethylamino)methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[(2-cyclohexylethylamino)methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[(2-cyclohexylethylamino)methyl]cyclobutan-1-ol is OC1(CNCCC2CCCCC2)CCC1.
What is the InChIKey of 1-[(2-cyclohexylethylamino)methyl]cyclobutan-1-ol?
The InChIKey is GWSLNCSGMQAZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c15-13(8-4-9-13)11-14-10-7-12-5-2-1-3-6-12/h12,14-15H,1-11H2.
What are the key properties of 1-[(2-cyclohexylethylamino)methyl]cyclobutan-1-ol?
1-[(2-cyclohexylethylamino)methyl]cyclobutan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclohexylethylamino)methyl]cyclobutan-1-ol is sourced from PubChem (CID 115692767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).