2-[4-(methylaminomethyl)cyclohexyl]ethanol

C10H21NO — CID 22310766

IUPAC2-[4-(methylaminomethyl)cyclohexyl]ethanol
SMILESCNCC1CCC(CCO)CC1
InChIInChI=1S/C10H21NO/c1-11-8-10-4-2-9(3-5-10)6-7-12/h9-12H,2-8H2,1H3
InChIKeyOIXOAKPUKLMUQS-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.39
Rot. Bonds4

About 2-[4-(methylaminomethyl)cyclohexyl]ethanol

2-[4-(methylaminomethyl)cyclohexyl]ethanol (PubChem CID 22310766) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-[4-(methylaminomethyl)cyclohexyl]ethanol.

Molecular Properties

Compound Name2-[4-(methylaminomethyl)cyclohexyl]ethanol
PubChem CID22310766
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-[4-(methylaminomethyl)cyclohexyl]ethanol
SMILESCNCC1CCC(CCO)CC1
InChIInChI=1S/C10H21NO/c1-11-8-10-4-2-9(3-5-10)6-7-12/h9-12H,2-8H2,1H3
InChIKeyOIXOAKPUKLMUQS-UHFFFAOYSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylaminomethyl)cyclohexyl]ethanol?
The IUPAC name of 2-[4-(methylaminomethyl)cyclohexyl]ethanol (CID 22310766) is 2-[4-(methylaminomethyl)cyclohexyl]ethanol.
What is the SMILES notation for 2-[4-(methylaminomethyl)cyclohexyl]ethanol?
The canonical SMILES for 2-[4-(methylaminomethyl)cyclohexyl]ethanol is CNCC1CCC(CCO)CC1.
What is the InChIKey of 2-[4-(methylaminomethyl)cyclohexyl]ethanol?
The InChIKey is OIXOAKPUKLMUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-11-8-10-4-2-9(3-5-10)6-7-12/h9-12H,2-8H2,1H3.
What are the key properties of 2-[4-(methylaminomethyl)cyclohexyl]ethanol?
2-[4-(methylaminomethyl)cyclohexyl]ethanol has a molecular weight of 171.28 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylaminomethyl)cyclohexyl]ethanol is sourced from PubChem (CID 22310766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).