3-ethyl-3-methyl-4-(methylaminomethyl)-1-(2-methylphenyl)cyclopentan-1-ol

C17H27NO — CID 123910572

IUPAC3-ethyl-3-methyl-4-(methylaminomethyl)-1-(2-methylphenyl)cyclopentan-1-ol
SMILESCCC1(C)CC(O)(c2ccccc2C)CC1CNC
InChIInChI=1S/C17H27NO/c1-5-16(3)12-17(19,10-14(16)11-18-4)15-9-7-6-8-13(15)2/h6-9,14,18-19H,5,10-12H2,1-4H3
InChIKeyNVMUMJXCMVZFRH-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.23
Rot. Bonds4

About 3-ethyl-3-methyl-4-(methylaminomethyl)-1-(2-methylphenyl)cyclopentan-1-ol

3-ethyl-3-methyl-4-(methylaminomethyl)-1-(2-methylphenyl)cyclopentan-1-ol (PubChem CID 123910572) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-ethyl-3-methyl-4-(methylaminomethyl)-1-(2-methylphenyl)cyclopentan-1-ol.

Molecular Properties

Compound Name3-ethyl-3-methyl-4-(methylaminomethyl)-1-(2-methylphenyl)cyclopentan-1-ol
PubChem CID123910572
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-ethyl-3-methyl-4-(methylaminomethyl)-1-(2-methylphenyl)cyclopentan-1-ol
SMILESCCC1(C)CC(O)(c2ccccc2C)CC1CNC
InChIInChI=1S/C17H27NO/c1-5-16(3)12-17(19,10-14(16)11-18-4)15-9-7-6-8-13(15)2/h6-9,14,18-19H,5,10-12H2,1-4H3
InChIKeyNVMUMJXCMVZFRH-UHFFFAOYSA-N
XLogP3.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-4-(methylaminomethyl)-1-(2-methylphenyl)cyclopentan-1-ol?
The IUPAC name of 3-ethyl-3-methyl-4-(methylaminomethyl)-1-(2-methylphenyl)cyclopentan-1-ol (CID 123910572) is 3-ethyl-3-methyl-4-(methylaminomethyl)-1-(2-methylphenyl)cyclopentan-1-ol.
What is the SMILES notation for 3-ethyl-3-methyl-4-(methylaminomethyl)-1-(2-methylphenyl)cyclopentan-1-ol?
The canonical SMILES for 3-ethyl-3-methyl-4-(methylaminomethyl)-1-(2-methylphenyl)cyclopentan-1-ol is CCC1(C)CC(O)(c2ccccc2C)CC1CNC.
What is the InChIKey of 3-ethyl-3-methyl-4-(methylaminomethyl)-1-(2-methylphenyl)cyclopentan-1-ol?
The InChIKey is NVMUMJXCMVZFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-16(3)12-17(19,10-14(16)11-18-4)15-9-7-6-8-13(15)2/h6-9,14,18-19H,5,10-12H2,1-4H3.
What are the key properties of 3-ethyl-3-methyl-4-(methylaminomethyl)-1-(2-methylphenyl)cyclopentan-1-ol?
3-ethyl-3-methyl-4-(methylaminomethyl)-1-(2-methylphenyl)cyclopentan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-4-(methylaminomethyl)-1-(2-methylphenyl)cyclopentan-1-ol is sourced from PubChem (CID 123910572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).