[2-[2-(3-methoxycyclohexyl)oxyethyl]-1-(methylamino)cyclopentyl]methanol

C16H31NO3 — CID 79581833

IUPAC[2-[2-(3-methoxycyclohexyl)oxyethyl]-1-(methylamino)cyclopentyl]methanol
SMILESCNC1(CO)CCCC1CCOC1CCCC(OC)C1
InChIInChI=1S/C16H31NO3/c1-17-16(12-18)9-4-5-13(16)8-10-20-15-7-3-6-14(11-15)19-2/h13-15,17-18H,3-12H2,1-2H3
InChIKeyXCLHPGJBRIIIBE-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.10
Rot. Bonds7

About [2-[2-(3-methoxycyclohexyl)oxyethyl]-1-(methylamino)cyclopentyl]methanol

[2-[2-(3-methoxycyclohexyl)oxyethyl]-1-(methylamino)cyclopentyl]methanol (PubChem CID 79581833) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is [2-[2-(3-methoxycyclohexyl)oxyethyl]-1-(methylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[2-(3-methoxycyclohexyl)oxyethyl]-1-(methylamino)cyclopentyl]methanol
PubChem CID79581833
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name[2-[2-(3-methoxycyclohexyl)oxyethyl]-1-(methylamino)cyclopentyl]methanol
SMILESCNC1(CO)CCCC1CCOC1CCCC(OC)C1
InChIInChI=1S/C16H31NO3/c1-17-16(12-18)9-4-5-13(16)8-10-20-15-7-3-6-14(11-15)19-2/h13-15,17-18H,3-12H2,1-2H3
InChIKeyXCLHPGJBRIIIBE-UHFFFAOYSA-N
XLogP2.10
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(methylamino)-2-[2-(oxolan-3-yloxy)ethyl]cyclopentyl]methanol
CID 79580990
[1-(methylamino)-2-(2-propoxyethyl)cyclopentyl]methanol
CID 79581094
[2-(2-cyclohexyloxyethyl)-1-(ethylamino)cyclopentyl]methanol
CID 79581004
[2-[2-(4-methylcyclohexyl)oxyethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79586748
[2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol
CID 103540797
[2-[2-(4,4-dimethylcyclohexyl)oxyethyl]-1-(ethylamino)cyclopentyl]methanol
CID 114342766
[2-(2-methoxyethyl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79581006
[1-(methylamino)-2-(2-pentan-2-yloxyethyl)cyclopentyl]methanol
CID 102988215
[4-[2-[2-(hydroxymethyl)-2-(methylamino)cyclopentyl]ethoxy]phenyl]methanol
CID 79581217
[2-[2-(2,3-difluorophenoxy)ethyl]-1-(methylamino)cyclopentyl]methanol
CID 79581372
[2-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol
CID 79571011
[2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 106450765

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-methoxycyclohexyl)oxyethyl]-1-(methylamino)cyclopentyl]methanol?
The IUPAC name of [2-[2-(3-methoxycyclohexyl)oxyethyl]-1-(methylamino)cyclopentyl]methanol (CID 79581833) is [2-[2-(3-methoxycyclohexyl)oxyethyl]-1-(methylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-[2-(3-methoxycyclohexyl)oxyethyl]-1-(methylamino)cyclopentyl]methanol?
The canonical SMILES for [2-[2-(3-methoxycyclohexyl)oxyethyl]-1-(methylamino)cyclopentyl]methanol is CNC1(CO)CCCC1CCOC1CCCC(OC)C1.
What is the InChIKey of [2-[2-(3-methoxycyclohexyl)oxyethyl]-1-(methylamino)cyclopentyl]methanol?
The InChIKey is XCLHPGJBRIIIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-17-16(12-18)9-4-5-13(16)8-10-20-15-7-3-6-14(11-15)19-2/h13-15,17-18H,3-12H2,1-2H3.
What are the key properties of [2-[2-(3-methoxycyclohexyl)oxyethyl]-1-(methylamino)cyclopentyl]methanol?
[2-[2-(3-methoxycyclohexyl)oxyethyl]-1-(methylamino)cyclopentyl]methanol has a molecular weight of 285.43 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-methoxycyclohexyl)oxyethyl]-1-(methylamino)cyclopentyl]methanol is sourced from PubChem (CID 79581833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).