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

C19H24N2O2 — CID 57139175

IUPAC1-(1H-cyclopenta[a]naphthalen-3-ylamino)oxy-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)CONC1=CCc2c1ccc1ccccc21
InChIInChI=1S/C19H24N2O2/c1-2-11-20-12-15(22)13-23-21-19-10-9-17-16-6-4-3-5-14(16)7-8-18(17)19/h3-8,10,15,20-22H,2,9,11-13H2,1H3
InChIKeyFUXCOVXPNICEDW-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.62
Rot. Bonds8

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

1-(1H-cyclopenta[a]naphthalen-3-ylamino)oxy-3-(propylamino)propan-2-ol (PubChem CID 57139175) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(1H-cyclopenta[a]naphthalen-3-ylamino)oxy-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Name1-(1H-cyclopenta[a]naphthalen-3-ylamino)oxy-3-(propylamino)propan-2-ol
PubChem CID57139175
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-(1H-cyclopenta[a]naphthalen-3-ylamino)oxy-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)CONC1=CCc2c1ccc1ccccc21
InChIInChI=1S/C19H24N2O2/c1-2-11-20-12-15(22)13-23-21-19-10-9-17-16-6-4-3-5-14(16)7-8-18(17)19/h3-8,10,15,20-22H,2,9,11-13H2,1H3
InChIKeyFUXCOVXPNICEDW-UHFFFAOYSA-N
XLogP2.62
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(propylamino)propan-2-ol?
The IUPAC name of 1-(1H-cyclopenta[a]naphthalen-3-ylamino)oxy-3-(propylamino)propan-2-ol (CID 57139175) is 1-(1H-cyclopenta[a]naphthalen-3-ylamino)oxy-3-(propylamino)propan-2-ol.
What is the SMILES notation for 1-(1H-cyclopenta[a]naphthalen-3-ylamino)oxy-3-(propylamino)propan-2-ol?
The canonical SMILES for 1-(1H-cyclopenta[a]naphthalen-3-ylamino)oxy-3-(propylamino)propan-2-ol is CCCNCC(O)CONC1=CCc2c1ccc1ccccc21.
What is the InChIKey of 1-(1H-cyclopenta[a]naphthalen-3-ylamino)oxy-3-(propylamino)propan-2-ol?
The InChIKey is FUXCOVXPNICEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-2-11-20-12-15(22)13-23-21-19-10-9-17-16-6-4-3-5-14(16)7-8-18(17)19/h3-8,10,15,20-22H,2,9,11-13H2,1H3.
What are the key properties of 1-(1H-cyclopenta[a]naphthalen-3-ylamino)oxy-3-(propylamino)propan-2-ol?
1-(1H-cyclopenta[a]naphthalen-3-ylamino)oxy-3-(propylamino)propan-2-ol has a molecular weight of 312.41 g/mol, XLogP of 2.62, 8 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-(propylamino)propan-2-ol is sourced from PubChem (CID 57139175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).