cyclopentyl-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]azanium

C17H26NO2+ — CID 2142734

IUPACcyclopentyl-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]azanium
SMILESC=CCc1ccccc1OC[C@@H](O)C[NH2+]C1CCCC1
InChIInChI=1S/C17H25NO2/c1-2-7-14-8-3-6-11-17(14)20-13-16(19)12-18-15-9-4-5-10-15/h2-3,6,8,11,15-16,18-19H,1,4-5,7,9-10,12-13H2/p+1/t16-/m0/s1
InChIKeyDDRWZNIIZPLDMD-INIZCTEOSA-O
MW276.40 g/mol
LogP1.66
Rot. Bonds8

About cyclopentyl-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]azanium

cyclopentyl-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]azanium (PubChem CID 2142734) has the molecular formula C17H26NO2+ and a molecular weight of 276.40 g/mol. Its IUPAC name is cyclopentyl-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]azanium.

Molecular Properties

Compound Namecyclopentyl-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]azanium
PubChem CID2142734
Molecular FormulaC17H26NO2+
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC Namecyclopentyl-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]azanium
SMILESC=CCc1ccccc1OC[C@@H](O)C[NH2+]C1CCCC1
InChIInChI=1S/C17H25NO2/c1-2-7-14-8-3-6-11-17(14)20-13-16(19)12-18-15-9-4-5-10-15/h2-3,6,8,11,15-16,18-19H,1,4-5,7,9-10,12-13H2/p+1/t16-/m0/s1
InChIKeyDDRWZNIIZPLDMD-INIZCTEOSA-O
XLogP1.66
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(dicyclohexylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 22330841
[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-cyclohexylazanium
CID 7420719
[(2R)-3-[2-[(2R)-butan-2-yl]phenoxy]-2-hydroxypropyl]-cyclopentylazanium
CID 7187890
1-piperidin-1-ium-1-yl-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 4619097
[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-dimethyl-propan-2-ylazanium
CID 6543364
1-(2-cyclopentylbenzimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 138960308
(2S)-1-[bis(2-hydroxyethyl)amino]-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 2046985
1-(2,6-dimethylmorpholin-4-ium-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 4137276
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 723040
N-cyclohexyl-2-(2-prop-2-enylphenoxy)acetamide
CID 1406994
1-(2,6-dimethylmorpholin-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol chloride
CID 21236664
(2S)-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 95570869

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]azanium?
The IUPAC name of cyclopentyl-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]azanium (CID 2142734) is cyclopentyl-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]azanium.
What is the SMILES notation for cyclopentyl-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]azanium?
The canonical SMILES for cyclopentyl-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]azanium is C=CCc1ccccc1OC[C@@H](O)C[NH2+]C1CCCC1.
What is the InChIKey of cyclopentyl-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]azanium?
The InChIKey is DDRWZNIIZPLDMD-INIZCTEOSA-O. The full InChI is InChI=1S/C17H25NO2/c1-2-7-14-8-3-6-11-17(14)20-13-16(19)12-18-15-9-4-5-10-15/h2-3,6,8,11,15-16,18-19H,1,4-5,7,9-10,12-13H2/p+1/t16-/m0/s1.
What are the key properties of cyclopentyl-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]azanium?
cyclopentyl-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]azanium has a molecular weight of 276.40 g/mol, XLogP of 1.66, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]azanium is sourced from PubChem (CID 2142734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).