(1S)-2-(2,4,6-trimethylanilino)cyclopentan-1-ol

C14H21NO — CID 143208834

IUPAC(1S)-2-(2,4,6-trimethylanilino)cyclopentan-1-ol
SMILESCc1cc(C)c(NC2CCC[C@@H]2O)c(C)c1
InChIInChI=1S/C14H21NO/c1-9-7-10(2)14(11(3)8-9)15-12-5-4-6-13(12)16/h7-8,12-13,15-16H,4-6H2,1-3H3/t12?,13-/m0/s1
InChIKeyBODHFIMIGOAVSU-ABLWVSNPSA-N
MW219.33 g/mol
LogP2.94
Rot. Bonds2

About (1S)-2-(2,4,6-trimethylanilino)cyclopentan-1-ol

(1S)-2-(2,4,6-trimethylanilino)cyclopentan-1-ol (PubChem CID 143208834) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (1S)-2-(2,4,6-trimethylanilino)cyclopentan-1-ol.

Molecular Properties

Compound Name(1S)-2-(2,4,6-trimethylanilino)cyclopentan-1-ol
PubChem CID143208834
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(1S)-2-(2,4,6-trimethylanilino)cyclopentan-1-ol
SMILESCc1cc(C)c(NC2CCC[C@@H]2O)c(C)c1
InChIInChI=1S/C14H21NO/c1-9-7-10(2)14(11(3)8-9)15-12-5-4-6-13(12)16/h7-8,12-13,15-16H,4-6H2,1-3H3/t12?,13-/m0/s1
InChIKeyBODHFIMIGOAVSU-ABLWVSNPSA-N
XLogP2.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-(2,4,6-trimethylanilino)cyclopentan-1-ol?
The IUPAC name of (1S)-2-(2,4,6-trimethylanilino)cyclopentan-1-ol (CID 143208834) is (1S)-2-(2,4,6-trimethylanilino)cyclopentan-1-ol.
What is the SMILES notation for (1S)-2-(2,4,6-trimethylanilino)cyclopentan-1-ol?
The canonical SMILES for (1S)-2-(2,4,6-trimethylanilino)cyclopentan-1-ol is Cc1cc(C)c(NC2CCC[C@@H]2O)c(C)c1.
What is the InChIKey of (1S)-2-(2,4,6-trimethylanilino)cyclopentan-1-ol?
The InChIKey is BODHFIMIGOAVSU-ABLWVSNPSA-N. The full InChI is InChI=1S/C14H21NO/c1-9-7-10(2)14(11(3)8-9)15-12-5-4-6-13(12)16/h7-8,12-13,15-16H,4-6H2,1-3H3/t12?,13-/m0/s1.
What are the key properties of (1S)-2-(2,4,6-trimethylanilino)cyclopentan-1-ol?
(1S)-2-(2,4,6-trimethylanilino)cyclopentan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(2,4,6-trimethylanilino)cyclopentan-1-ol is sourced from PubChem (CID 143208834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).