[2-(2-propoxyethyl)-1-(propylamino)cyclopentyl]methanol

C14H29NO2 — CID 79581095

IUPAC[2-(2-propoxyethyl)-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCCC1CCOCCC
InChIInChI=1S/C14H29NO2/c1-3-9-15-14(12-16)8-5-6-13(14)7-11-17-10-4-2/h13,15-16H,3-12H2,1-2H3
InChIKeySCAAPLHNRCMGRU-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.33
Rot. Bonds9

About [2-(2-propoxyethyl)-1-(propylamino)cyclopentyl]methanol

[2-(2-propoxyethyl)-1-(propylamino)cyclopentyl]methanol (PubChem CID 79581095) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is [2-(2-propoxyethyl)-1-(propylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-(2-propoxyethyl)-1-(propylamino)cyclopentyl]methanol
PubChem CID79581095
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name[2-(2-propoxyethyl)-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCCC1CCOCCC
InChIInChI=1S/C14H29NO2/c1-3-9-15-14(12-16)8-5-6-13(14)7-11-17-10-4-2/h13,15-16H,3-12H2,1-2H3
InChIKeySCAAPLHNRCMGRU-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.33
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-(3-methylbutoxy)ethyl]-1-(propylamino)cyclopentyl]methanol
CID 79581996
[1-(methylamino)-2-(2-propoxyethyl)cyclopentyl]methanol
CID 79581094
[2-[2-[1-methoxypropan-2-yl(methyl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol
CID 79570962
[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-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-(propylamino)cyclopentyl]methanol
CID 104968989
[2-(2-cyclohexylsulfanylethyl)-1-(propylamino)cyclopentyl]methanol
CID 79580959
[2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol
CID 79567623
[2-[2-[methyl(2-methylpropyl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol
CID 79571507
[2-[2-(4,4-dimethylcyclohexyl)oxyethyl]-1-(ethylamino)cyclopentyl]methanol
CID 114342766
[2-[2-[methyl(oxan-4-yl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol
CID 79568301
[2-(2-cyclohexyloxyethyl)-1-(ethylamino)cyclopentyl]methanol
CID 79581004

Frequently Asked Questions

What is the IUPAC name of [2-(2-propoxyethyl)-1-(propylamino)cyclopentyl]methanol?
The IUPAC name of [2-(2-propoxyethyl)-1-(propylamino)cyclopentyl]methanol (CID 79581095) is [2-(2-propoxyethyl)-1-(propylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-(2-propoxyethyl)-1-(propylamino)cyclopentyl]methanol?
The canonical SMILES for [2-(2-propoxyethyl)-1-(propylamino)cyclopentyl]methanol is CCCNC1(CO)CCCC1CCOCCC.
What is the InChIKey of [2-(2-propoxyethyl)-1-(propylamino)cyclopentyl]methanol?
The InChIKey is SCAAPLHNRCMGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-3-9-15-14(12-16)8-5-6-13(14)7-11-17-10-4-2/h13,15-16H,3-12H2,1-2H3.
What are the key properties of [2-(2-propoxyethyl)-1-(propylamino)cyclopentyl]methanol?
[2-(2-propoxyethyl)-1-(propylamino)cyclopentyl]methanol has a molecular weight of 243.39 g/mol, XLogP of 2.33, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-propoxyethyl)-1-(propylamino)cyclopentyl]methanol is sourced from PubChem (CID 79581095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).