1-(tert-butylamino)-3-(1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino)oxypropan-2-ol

C20H26N2O2 — CID 139652527

IUPAC1-(tert-butylamino)-3-(1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino)oxypropan-2-ol
SMILESCC(C)(C)NCC(O)CON=C1CCc2c1ccc1ccccc21
InChIInChI=1S/C20H26N2O2/c1-20(2,3)21-12-15(23)13-24-22-19-11-10-17-16-7-5-4-6-14(16)8-9-18(17)19/h4-9,15,21,23H,10-13H2,1-3H3
InChIKeyPNOSYHZFXPNLBM-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.26
Rot. Bonds5

About 1-(tert-butylamino)-3-(1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino)oxypropan-2-ol

1-(tert-butylamino)-3-(1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino)oxypropan-2-ol (PubChem CID 139652527) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino)oxypropan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino)oxypropan-2-ol
PubChem CID139652527
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-(tert-butylamino)-3-(1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino)oxypropan-2-ol
SMILESCC(C)(C)NCC(O)CON=C1CCc2c1ccc1ccccc21
InChIInChI=1S/C20H26N2O2/c1-20(2,3)21-12-15(23)13-24-22-19-11-10-17-16-7-5-4-6-14(16)8-9-18(17)19/h4-9,15,21,23H,10-13H2,1-3H3
InChIKeyPNOSYHZFXPNLBM-UHFFFAOYSA-N
XLogP3.26
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-(tert-butylamino)-3-(1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino)oxypropan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-(1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino)oxypropan-2-ol (CID 139652527) is 1-(tert-butylamino)-3-(1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino)oxypropan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-(1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino)oxypropan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-(1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino)oxypropan-2-ol is CC(C)(C)NCC(O)CON=C1CCc2c1ccc1ccccc21.
What is the InChIKey of 1-(tert-butylamino)-3-(1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino)oxypropan-2-ol?
The InChIKey is PNOSYHZFXPNLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-20(2,3)21-12-15(23)13-24-22-19-11-10-17-16-7-5-4-6-14(16)8-9-18(17)19/h4-9,15,21,23H,10-13H2,1-3H3.
What are the key properties of 1-(tert-butylamino)-3-(1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino)oxypropan-2-ol?
1-(tert-butylamino)-3-(1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino)oxypropan-2-ol has a molecular weight of 326.44 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino)oxypropan-2-ol is sourced from PubChem (CID 139652527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).