4-[4-(methylamino)cyclohexyl]butan-1-ol

C11H23NO — CID 22236306

IUPAC4-[4-(methylamino)cyclohexyl]butan-1-ol
SMILESCNC1CCC(CCCCO)CC1
InChIInChI=1S/C11H23NO/c1-12-11-7-5-10(6-8-11)4-2-3-9-13/h10-13H,2-9H2,1H3
InChIKeyXCIRNSCJKXRGGQ-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.93
Rot. Bonds5

About 4-[4-(methylamino)cyclohexyl]butan-1-ol

4-[4-(methylamino)cyclohexyl]butan-1-ol (PubChem CID 22236306) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-[4-(methylamino)cyclohexyl]butan-1-ol.

Molecular Properties

Compound Name4-[4-(methylamino)cyclohexyl]butan-1-ol
PubChem CID22236306
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4-[4-(methylamino)cyclohexyl]butan-1-ol
SMILESCNC1CCC(CCCCO)CC1
InChIInChI=1S/C11H23NO/c1-12-11-7-5-10(6-8-11)4-2-3-9-13/h10-13H,2-9H2,1H3
InChIKeyXCIRNSCJKXRGGQ-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.93
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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Frequently Asked Questions

What is the IUPAC name of 4-[4-(methylamino)cyclohexyl]butan-1-ol?
The IUPAC name of 4-[4-(methylamino)cyclohexyl]butan-1-ol (CID 22236306) is 4-[4-(methylamino)cyclohexyl]butan-1-ol.
What is the SMILES notation for 4-[4-(methylamino)cyclohexyl]butan-1-ol?
The canonical SMILES for 4-[4-(methylamino)cyclohexyl]butan-1-ol is CNC1CCC(CCCCO)CC1.
What is the InChIKey of 4-[4-(methylamino)cyclohexyl]butan-1-ol?
The InChIKey is XCIRNSCJKXRGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-12-11-7-5-10(6-8-11)4-2-3-9-13/h10-13H,2-9H2,1H3.
What are the key properties of 4-[4-(methylamino)cyclohexyl]butan-1-ol?
4-[4-(methylamino)cyclohexyl]butan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methylamino)cyclohexyl]butan-1-ol is sourced from PubChem (CID 22236306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).