[2-[2-(4-methylcyclohexyl)oxyethyl]-1-(propan-2-ylamino)cyclopentyl]methanol

C18H35NO2 — CID 79586748

IUPAC[2-[2-(4-methylcyclohexyl)oxyethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCC1CCC(OCCC2CCCC2(CO)NC(C)C)CC1
InChIInChI=1S/C18H35NO2/c1-14(2)19-18(13-20)11-4-5-16(18)10-12-21-17-8-6-15(3)7-9-17/h14-17,19-20H,4-13H2,1-3H3
InChIKeyZVBQTBAEVCGTOK-UHFFFAOYSA-N
MW297.48 g/mol
LogP3.50
Rot. Bonds7

About [2-[2-(4-methylcyclohexyl)oxyethyl]-1-(propan-2-ylamino)cyclopentyl]methanol

[2-[2-(4-methylcyclohexyl)oxyethyl]-1-(propan-2-ylamino)cyclopentyl]methanol (PubChem CID 79586748) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is [2-[2-(4-methylcyclohexyl)oxyethyl]-1-(propan-2-ylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[2-(4-methylcyclohexyl)oxyethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
PubChem CID79586748
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name[2-[2-(4-methylcyclohexyl)oxyethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCC1CCC(OCCC2CCCC2(CO)NC(C)C)CC1
InChIInChI=1S/C18H35NO2/c1-14(2)19-18(13-20)11-4-5-16(18)10-12-21-17-8-6-15(3)7-9-17/h14-17,19-20H,4-13H2,1-3H3
InChIKeyZVBQTBAEVCGTOK-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

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Related Compounds

[2-(2-methoxyethyl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79581006
[2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 106450765
[2-[2-(3-methoxypropoxy)ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79580993
[2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79571574
[2-(2-cyclohexyloxyethyl)-1-(ethylamino)cyclopentyl]methanol
CID 79581004
[2-[2-(4,4-dimethylcyclohexyl)oxyethyl]-1-(ethylamino)cyclopentyl]methanol
CID 114342766
[2-[2-[butyl(cyclopropyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79567491
[1-(methylamino)-2-[2-(oxolan-3-yloxy)ethyl]cyclopentyl]methanol
CID 79580990
[2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79571345
[2-[2-(3-methoxycyclohexyl)oxyethyl]-1-(methylamino)cyclopentyl]methanol
CID 79581833
[2-[2-(3-methylpyrrolidin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79571310
[2-(2-ethylsulfanylethyl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79582041

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-methylcyclohexyl)oxyethyl]-1-(propan-2-ylamino)cyclopentyl]methanol?
The IUPAC name of [2-[2-(4-methylcyclohexyl)oxyethyl]-1-(propan-2-ylamino)cyclopentyl]methanol (CID 79586748) is [2-[2-(4-methylcyclohexyl)oxyethyl]-1-(propan-2-ylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-[2-(4-methylcyclohexyl)oxyethyl]-1-(propan-2-ylamino)cyclopentyl]methanol?
The canonical SMILES for [2-[2-(4-methylcyclohexyl)oxyethyl]-1-(propan-2-ylamino)cyclopentyl]methanol is CC1CCC(OCCC2CCCC2(CO)NC(C)C)CC1.
What is the InChIKey of [2-[2-(4-methylcyclohexyl)oxyethyl]-1-(propan-2-ylamino)cyclopentyl]methanol?
The InChIKey is ZVBQTBAEVCGTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-14(2)19-18(13-20)11-4-5-16(18)10-12-21-17-8-6-15(3)7-9-17/h14-17,19-20H,4-13H2,1-3H3.
What are the key properties of [2-[2-(4-methylcyclohexyl)oxyethyl]-1-(propan-2-ylamino)cyclopentyl]methanol?
[2-[2-(4-methylcyclohexyl)oxyethyl]-1-(propan-2-ylamino)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-methylcyclohexyl)oxyethyl]-1-(propan-2-ylamino)cyclopentyl]methanol is sourced from PubChem (CID 79586748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).