[2-[2-(4,4-dimethylcyclohexyl)oxyethyl]-1-(ethylamino)cyclopentyl]methanol

C18H35NO2 — CID 114342766

IUPAC[2-[2-(4,4-dimethylcyclohexyl)oxyethyl]-1-(ethylamino)cyclopentyl]methanol
SMILESCCNC1(CO)CCCC1CCOC1CCC(C)(C)CC1
InChIInChI=1S/C18H35NO2/c1-4-19-18(14-20)10-5-6-15(18)9-13-21-16-7-11-17(2,3)12-8-16/h15-16,19-20H,4-14H2,1-3H3
InChIKeyRUNMCCPQUWZHOW-UHFFFAOYSA-N
MW297.48 g/mol
LogP3.50
Rot. Bonds7

About [2-[2-(4,4-dimethylcyclohexyl)oxyethyl]-1-(ethylamino)cyclopentyl]methanol

[2-[2-(4,4-dimethylcyclohexyl)oxyethyl]-1-(ethylamino)cyclopentyl]methanol (PubChem CID 114342766) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is [2-[2-(4,4-dimethylcyclohexyl)oxyethyl]-1-(ethylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[2-(4,4-dimethylcyclohexyl)oxyethyl]-1-(ethylamino)cyclopentyl]methanol
PubChem CID114342766
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name[2-[2-(4,4-dimethylcyclohexyl)oxyethyl]-1-(ethylamino)cyclopentyl]methanol
SMILESCCNC1(CO)CCCC1CCOC1CCC(C)(C)CC1
InChIInChI=1S/C18H35NO2/c1-4-19-18(14-20)10-5-6-15(18)9-13-21-16-7-11-17(2,3)12-8-16/h15-16,19-20H,4-14H2,1-3H3
InChIKeyRUNMCCPQUWZHOW-UHFFFAOYSA-N
XLogP3.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-[2-(4,4-dimethylcyclohexyl)oxyethyl]-1-(ethylamino)cyclopentyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4,4-dimethylcyclohexyl)oxyethyl]-1-(ethylamino)cyclopentyl]methanol?
The IUPAC name of [2-[2-(4,4-dimethylcyclohexyl)oxyethyl]-1-(ethylamino)cyclopentyl]methanol (CID 114342766) is [2-[2-(4,4-dimethylcyclohexyl)oxyethyl]-1-(ethylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-[2-(4,4-dimethylcyclohexyl)oxyethyl]-1-(ethylamino)cyclopentyl]methanol?
The canonical SMILES for [2-[2-(4,4-dimethylcyclohexyl)oxyethyl]-1-(ethylamino)cyclopentyl]methanol is CCNC1(CO)CCCC1CCOC1CCC(C)(C)CC1.
What is the InChIKey of [2-[2-(4,4-dimethylcyclohexyl)oxyethyl]-1-(ethylamino)cyclopentyl]methanol?
The InChIKey is RUNMCCPQUWZHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-4-19-18(14-20)10-5-6-15(18)9-13-21-16-7-11-17(2,3)12-8-16/h15-16,19-20H,4-14H2,1-3H3.
What are the key properties of [2-[2-(4,4-dimethylcyclohexyl)oxyethyl]-1-(ethylamino)cyclopentyl]methanol?
[2-[2-(4,4-dimethylcyclohexyl)oxyethyl]-1-(ethylamino)cyclopentyl]methanol has a molecular weight of 297.48 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4,4-dimethylcyclohexyl)oxyethyl]-1-(ethylamino)cyclopentyl]methanol is sourced from PubChem (CID 114342766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).