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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Related Compounds

(2S)-1-[(E)-(7-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-ylidene)amino]oxy-3-(tert-butylamino)propan-2-ol
CID 135430593
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[(E)-1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino]oxypropan-2-ol
CID 19917234
N-[2-[(Z)-1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino]oxyethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 6510149
1-[(E)-[(2Z)-2-benzylidenecyclohexylidene]amino]oxy-3-(tert-butylamino)propan-2-ol
CID 19744136
(2R)-1-(tert-butylamino)-3-[(E)-(6,7-dibromo-2,3-dihydro-1H-1,8-naphthyridin-4-ylidene)amino]oxypropan-2-ol
CID 135462404
1-(tert-butylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 2769824
1-[4-[(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]-3-(1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino)oxypropan-2-ol
CID 139652531
1-(1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino)oxy-N,N-dimethylpropan-1-amine
CID 54194555
(1S)-2-(tert-butylamino)-1-isoquinolin-1-ylethanol
CID 155154320
2-[3-(1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino)oxypropyl]isoindole-1,3-dione
CID 54065622
(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol
CID 27319600
1-(tert-butylamino)-3-[(E)-1-(1H-indol-3-yl)ethylideneamino]oxypropan-2-ol
CID 136504195

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).