2,2-dimethyl-5-[(N,2,4-trimethylanilino)methyl]cyclopentan-1-ol

C17H27NO — CID 79856196

IUPAC2,2-dimethyl-5-[(N,2,4-trimethylanilino)methyl]cyclopentan-1-ol
SMILESCc1ccc(N(C)CC2CCC(C)(C)C2O)c(C)c1
InChIInChI=1S/C17H27NO/c1-12-6-7-15(13(2)10-12)18(5)11-14-8-9-17(3,4)16(14)19/h6-7,10,14,16,19H,8-9,11H2,1-5H3
InChIKeyJSKRGLSBJSPLEO-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.54
Rot. Bonds3

About 2,2-dimethyl-5-[(N,2,4-trimethylanilino)methyl]cyclopentan-1-ol

2,2-dimethyl-5-[(N,2,4-trimethylanilino)methyl]cyclopentan-1-ol (PubChem CID 79856196) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2,2-dimethyl-5-[(N,2,4-trimethylanilino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-5-[(N,2,4-trimethylanilino)methyl]cyclopentan-1-ol
PubChem CID79856196
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2,2-dimethyl-5-[(N,2,4-trimethylanilino)methyl]cyclopentan-1-ol
SMILESCc1ccc(N(C)CC2CCC(C)(C)C2O)c(C)c1
InChIInChI=1S/C17H27NO/c1-12-6-7-15(13(2)10-12)18(5)11-14-8-9-17(3,4)16(14)19/h6-7,10,14,16,19H,8-9,11H2,1-5H3
InChIKeyJSKRGLSBJSPLEO-UHFFFAOYSA-N
XLogP3.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[(N,2,4-trimethylanilino)methyl]cyclopentan-1-ol?
The IUPAC name of 2,2-dimethyl-5-[(N,2,4-trimethylanilino)methyl]cyclopentan-1-ol (CID 79856196) is 2,2-dimethyl-5-[(N,2,4-trimethylanilino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 2,2-dimethyl-5-[(N,2,4-trimethylanilino)methyl]cyclopentan-1-ol?
The canonical SMILES for 2,2-dimethyl-5-[(N,2,4-trimethylanilino)methyl]cyclopentan-1-ol is Cc1ccc(N(C)CC2CCC(C)(C)C2O)c(C)c1.
What is the InChIKey of 2,2-dimethyl-5-[(N,2,4-trimethylanilino)methyl]cyclopentan-1-ol?
The InChIKey is JSKRGLSBJSPLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12-6-7-15(13(2)10-12)18(5)11-14-8-9-17(3,4)16(14)19/h6-7,10,14,16,19H,8-9,11H2,1-5H3.
What are the key properties of 2,2-dimethyl-5-[(N,2,4-trimethylanilino)methyl]cyclopentan-1-ol?
2,2-dimethyl-5-[(N,2,4-trimethylanilino)methyl]cyclopentan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[(N,2,4-trimethylanilino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 79856196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).