1-(1H-cyclopenta[a]naphthalen-3-ylamino)oxy-3-(cyclopropylamino)propan-2-ol

C19H22N2O2 — CID 57113906

IUPAC1-(1H-cyclopenta[a]naphthalen-3-ylamino)oxy-3-(cyclopropylamino)propan-2-ol
SMILESOC(CNC1CC1)CONC1=CCc2c1ccc1ccccc21
InChIInChI=1S/C19H22N2O2/c22-15(11-20-14-6-7-14)12-23-21-19-10-9-17-16-4-2-1-3-13(16)5-8-18(17)19/h1-5,8,10,14-15,20-22H,6-7,9,11-12H2
InChIKeyUKGSLHGONRVFDE-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.37
Rot. Bonds7

About 1-(1H-cyclopenta[a]naphthalen-3-ylamino)oxy-3-(cyclopropylamino)propan-2-ol

1-(1H-cyclopenta[a]naphthalen-3-ylamino)oxy-3-(cyclopropylamino)propan-2-ol (PubChem CID 57113906) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(1H-cyclopenta[a]naphthalen-3-ylamino)oxy-3-(cyclopropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(1H-cyclopenta[a]naphthalen-3-ylamino)oxy-3-(cyclopropylamino)propan-2-ol
PubChem CID57113906
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-(1H-cyclopenta[a]naphthalen-3-ylamino)oxy-3-(cyclopropylamino)propan-2-ol
SMILESOC(CNC1CC1)CONC1=CCc2c1ccc1ccccc21
InChIInChI=1S/C19H22N2O2/c22-15(11-20-14-6-7-14)12-23-21-19-10-9-17-16-4-2-1-3-13(16)5-8-18(17)19/h1-5,8,10,14-15,20-22H,6-7,9,11-12H2
InChIKeyUKGSLHGONRVFDE-UHFFFAOYSA-N
XLogP2.37
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-cyclopenta[a]naphthalen-3-ylamino)oxy-3-(cyclopropylamino)propan-2-ol?
The IUPAC name of 1-(1H-cyclopenta[a]naphthalen-3-ylamino)oxy-3-(cyclopropylamino)propan-2-ol (CID 57113906) is 1-(1H-cyclopenta[a]naphthalen-3-ylamino)oxy-3-(cyclopropylamino)propan-2-ol.
What is the SMILES notation for 1-(1H-cyclopenta[a]naphthalen-3-ylamino)oxy-3-(cyclopropylamino)propan-2-ol?
The canonical SMILES for 1-(1H-cyclopenta[a]naphthalen-3-ylamino)oxy-3-(cyclopropylamino)propan-2-ol is OC(CNC1CC1)CONC1=CCc2c1ccc1ccccc21.
What is the InChIKey of 1-(1H-cyclopenta[a]naphthalen-3-ylamino)oxy-3-(cyclopropylamino)propan-2-ol?
The InChIKey is UKGSLHGONRVFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-15(11-20-14-6-7-14)12-23-21-19-10-9-17-16-4-2-1-3-13(16)5-8-18(17)19/h1-5,8,10,14-15,20-22H,6-7,9,11-12H2.
What are the key properties of 1-(1H-cyclopenta[a]naphthalen-3-ylamino)oxy-3-(cyclopropylamino)propan-2-ol?
1-(1H-cyclopenta[a]naphthalen-3-ylamino)oxy-3-(cyclopropylamino)propan-2-ol has a molecular weight of 310.40 g/mol, XLogP of 2.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-cyclopenta[a]naphthalen-3-ylamino)oxy-3-(cyclopropylamino)propan-2-ol is sourced from PubChem (CID 57113906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).