2-[4-(2-methylcyclohexyl)butylamino]ethanol

C13H27NO — CID 71071820

IUPAC2-[4-(2-methylcyclohexyl)butylamino]ethanol
SMILESCC1CCCCC1CCCCNCCO
InChIInChI=1S/C13H27NO/c1-12-6-2-3-7-13(12)8-4-5-9-14-10-11-15/h12-15H,2-11H2,1H3
InChIKeyRYTBHGMSNRHUIG-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.56
Rot. Bonds7

About 2-[4-(2-methylcyclohexyl)butylamino]ethanol

2-[4-(2-methylcyclohexyl)butylamino]ethanol (PubChem CID 71071820) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-[4-(2-methylcyclohexyl)butylamino]ethanol.

Molecular Properties

Compound Name2-[4-(2-methylcyclohexyl)butylamino]ethanol
PubChem CID71071820
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-[4-(2-methylcyclohexyl)butylamino]ethanol
SMILESCC1CCCCC1CCCCNCCO
InChIInChI=1S/C13H27NO/c1-12-6-2-3-7-13(12)8-4-5-9-14-10-11-15/h12-15H,2-11H2,1H3
InChIKeyRYTBHGMSNRHUIG-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.56
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 2-[4-(2-methylcyclohexyl)butylamino]ethanol?
The IUPAC name of 2-[4-(2-methylcyclohexyl)butylamino]ethanol (CID 71071820) is 2-[4-(2-methylcyclohexyl)butylamino]ethanol.
What is the SMILES notation for 2-[4-(2-methylcyclohexyl)butylamino]ethanol?
The canonical SMILES for 2-[4-(2-methylcyclohexyl)butylamino]ethanol is CC1CCCCC1CCCCNCCO.
What is the InChIKey of 2-[4-(2-methylcyclohexyl)butylamino]ethanol?
The InChIKey is RYTBHGMSNRHUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-12-6-2-3-7-13(12)8-4-5-9-14-10-11-15/h12-15H,2-11H2,1H3.
What are the key properties of 2-[4-(2-methylcyclohexyl)butylamino]ethanol?
2-[4-(2-methylcyclohexyl)butylamino]ethanol has a molecular weight of 213.36 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylcyclohexyl)butylamino]ethanol is sourced from PubChem (CID 71071820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).