5-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol

C16H25NO2 — CID 106008779

IUPAC5-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol
SMILESCC(NCCCC1CCCC1)c1cc(O)cc(O)c1
InChIInChI=1S/C16H25NO2/c1-12(14-9-15(18)11-16(19)10-14)17-8-4-7-13-5-2-3-6-13/h9-13,17-19H,2-8H2,1H3
InChIKeyMXTDFVLGGVTCFS-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.72
Rot. Bonds6

About 5-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol

5-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol (PubChem CID 106008779) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol
PubChem CID106008779
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name5-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol
SMILESCC(NCCCC1CCCC1)c1cc(O)cc(O)c1
InChIInChI=1S/C16H25NO2/c1-12(14-9-15(18)11-16(19)10-14)17-8-4-7-13-5-2-3-6-13/h9-13,17-19H,2-8H2,1H3
InChIKeyMXTDFVLGGVTCFS-UHFFFAOYSA-N
XLogP3.72
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(2-cyclopentylethylamino)ethyl]phenol
CID 54932146
4-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol
CID 106008680
5-[1-(4-aminobutylamino)ethyl]benzene-1,3-diol
CID 107706031
5-[1-(4-hydroxypentylamino)ethyl]benzene-1,3-diol
CID 114146378
N-cyclopropyl-4-[1-(3,5-dihydroxyphenyl)ethylamino]butanamide
CID 107706794
3-cyclotetradecyl-N-propan-2-ylpropan-1-amine
CID 91804535
2-[4-[1-(3-cyclopentylpropylamino)ethyl]phenoxy]acetonitrile
CID 103913730
5-[1-(3,3,3-trifluoropropylamino)ethyl]benzene-1,3-diol
CID 107706521
5-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]benzene-1,3-diol
CID 106040787
5-[1-(3,5-dihydroxyphenyl)ethylamino]pentanamide
CID 106234521
4-[1-(2-cyclohexylethylamino)ethyl]-2-methoxyphenol
CID 60919457
5-[1-[4-(2-methoxyethoxy)butylamino]ethyl]benzene-1,3-diol
CID 107707175

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol (CID 106008779) is 5-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol is CC(NCCCC1CCCC1)c1cc(O)cc(O)c1.
What is the InChIKey of 5-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol?
The InChIKey is MXTDFVLGGVTCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(14-9-15(18)11-16(19)10-14)17-8-4-7-13-5-2-3-6-13/h9-13,17-19H,2-8H2,1H3.
What are the key properties of 5-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol?
5-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol has a molecular weight of 263.38 g/mol, XLogP of 3.72, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol is sourced from PubChem (CID 106008779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).