[2-[2-[cyclohexylmethyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentyl]methanol

C18H36N2O — CID 79567645

IUPAC[2-[2-[cyclohexylmethyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentyl]methanol
SMILESCCNC1(CO)CCCC1CCN(C)CC1CCCCC1
InChIInChI=1S/C18H36N2O/c1-3-19-18(15-21)12-7-10-17(18)11-13-20(2)14-16-8-5-4-6-9-16/h16-17,19,21H,3-15H2,1-2H3
InChIKeyRUOIQWACGBCUGV-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.03
Rot. Bonds8

About [2-[2-[cyclohexylmethyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentyl]methanol

[2-[2-[cyclohexylmethyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentyl]methanol (PubChem CID 79567645) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is [2-[2-[cyclohexylmethyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[2-[cyclohexylmethyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentyl]methanol
PubChem CID79567645
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name[2-[2-[cyclohexylmethyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentyl]methanol
SMILESCCNC1(CO)CCCC1CCN(C)CC1CCCCC1
InChIInChI=1S/C18H36N2O/c1-3-19-18(15-21)12-7-10-17(18)11-13-20(2)14-16-8-5-4-6-9-16/h16-17,19,21H,3-15H2,1-2H3
InChIKeyRUOIQWACGBCUGV-UHFFFAOYSA-N
XLogP3.03
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(ethylamino)-2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]cyclopentyl]methanol
CID 79566945
[1-(methylamino)-2-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]cyclopentyl]methanol
CID 79571129
[1-amino-2-[2-[cyclohexylmethyl(methyl)amino]ethyl]cyclopentyl]methanol
CID 79571249
[2-[2-[ethyl(methyl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol
CID 79571443
[2-(2-cyclohexyloxyethyl)-1-(ethylamino)cyclopentyl]methanol
CID 79581004
[2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(ethylamino)cyclopentyl]methanol
CID 79571170
[2-[2-[methyl(2-methylpropyl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol
CID 79571507
[2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]-1-(ethylamino)cyclopentyl]methanol
CID 79566538
[1-(ethylamino)-2-[2-(2-methoxyethoxy)ethyl]cyclopentyl]methanol
CID 79581609
[1-(ethylamino)-2-[2-(2-methylcyclohexyl)oxyethyl]cyclopentyl]methanol
CID 79581305
[2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79571345
[2-(2-butan-2-ylsulfanylethyl)-1-(ethylamino)cyclopentyl]methanol
CID 79582042

Frequently Asked Questions

What is the IUPAC name of [2-[2-[cyclohexylmethyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentyl]methanol?
The IUPAC name of [2-[2-[cyclohexylmethyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentyl]methanol (CID 79567645) is [2-[2-[cyclohexylmethyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-[2-[cyclohexylmethyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentyl]methanol?
The canonical SMILES for [2-[2-[cyclohexylmethyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentyl]methanol is CCNC1(CO)CCCC1CCN(C)CC1CCCCC1.
What is the InChIKey of [2-[2-[cyclohexylmethyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentyl]methanol?
The InChIKey is RUOIQWACGBCUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-3-19-18(15-21)12-7-10-17(18)11-13-20(2)14-16-8-5-4-6-9-16/h16-17,19,21H,3-15H2,1-2H3.
What are the key properties of [2-[2-[cyclohexylmethyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentyl]methanol?
[2-[2-[cyclohexylmethyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentyl]methanol has a molecular weight of 296.50 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[cyclohexylmethyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentyl]methanol is sourced from PubChem (CID 79567645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).