[2-[2-(3-methylbutoxy)ethyl]-1-(propylamino)cyclopentyl]methanol

C16H33NO2 — CID 79581996

IUPAC[2-[2-(3-methylbutoxy)ethyl]-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCCC1CCOCCC(C)C
InChIInChI=1S/C16H33NO2/c1-4-10-17-16(13-18)9-5-6-15(16)8-12-19-11-7-14(2)3/h14-15,17-18H,4-13H2,1-3H3
InChIKeyWFFFUSYFTZGXNI-UHFFFAOYSA-N
MW271.44 g/mol
LogP2.97
Rot. Bonds10

About [2-[2-(3-methylbutoxy)ethyl]-1-(propylamino)cyclopentyl]methanol

[2-[2-(3-methylbutoxy)ethyl]-1-(propylamino)cyclopentyl]methanol (PubChem CID 79581996) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is [2-[2-(3-methylbutoxy)ethyl]-1-(propylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[2-(3-methylbutoxy)ethyl]-1-(propylamino)cyclopentyl]methanol
PubChem CID79581996
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name[2-[2-(3-methylbutoxy)ethyl]-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCCC1CCOCCC(C)C
InChIInChI=1S/C16H33NO2/c1-4-10-17-16(13-18)9-5-6-15(16)8-12-19-11-7-14(2)3/h14-15,17-18H,4-13H2,1-3H3
InChIKeyWFFFUSYFTZGXNI-UHFFFAOYSA-N
XLogP2.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(2-propoxyethyl)-1-(propylamino)cyclopentyl]methanol
CID 79581095
[2-[2-[methyl(2-methylpropyl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol
CID 79571507
[2-[2-[1-methoxypropan-2-yl(methyl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol
CID 79570962
[1-(methylamino)-2-(2-propoxyethyl)cyclopentyl]methanol
CID 79581094
[2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol
CID 79567623
[2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 106450765
[2-[2-[ethyl(methyl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol
CID 79571443
[1-(ethylamino)-2-[2-(2-methoxyethoxy)ethyl]cyclopentyl]methanol
CID 79581609
[2-[2-(3-methoxypropoxy)ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79580993
[2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-(propylamino)cyclopentyl]methanol
CID 104968989
[2-[2-(4,4-dimethylcyclohexyl)oxyethyl]-1-(ethylamino)cyclopentyl]methanol
CID 114342766
[2-(2-cyclohexylsulfanylethyl)-1-(propylamino)cyclopentyl]methanol
CID 79580959

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-methylbutoxy)ethyl]-1-(propylamino)cyclopentyl]methanol?
The IUPAC name of [2-[2-(3-methylbutoxy)ethyl]-1-(propylamino)cyclopentyl]methanol (CID 79581996) is [2-[2-(3-methylbutoxy)ethyl]-1-(propylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-[2-(3-methylbutoxy)ethyl]-1-(propylamino)cyclopentyl]methanol?
The canonical SMILES for [2-[2-(3-methylbutoxy)ethyl]-1-(propylamino)cyclopentyl]methanol is CCCNC1(CO)CCCC1CCOCCC(C)C.
What is the InChIKey of [2-[2-(3-methylbutoxy)ethyl]-1-(propylamino)cyclopentyl]methanol?
The InChIKey is WFFFUSYFTZGXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-4-10-17-16(13-18)9-5-6-15(16)8-12-19-11-7-14(2)3/h14-15,17-18H,4-13H2,1-3H3.
What are the key properties of [2-[2-(3-methylbutoxy)ethyl]-1-(propylamino)cyclopentyl]methanol?
[2-[2-(3-methylbutoxy)ethyl]-1-(propylamino)cyclopentyl]methanol has a molecular weight of 271.44 g/mol, XLogP of 2.97, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-methylbutoxy)ethyl]-1-(propylamino)cyclopentyl]methanol is sourced from PubChem (CID 79581996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).