9-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,2,3,4,5,6,7,8-octahydroacridin-4-ol

C20H31NO2 — CID 10041540

IUPAC9-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,2,3,4,5,6,7,8-octahydroacridin-4-ol
SMILESCC(C)(C)OCCCc1c2c(nc3c1CCCC3O)CCCC2
InChIInChI=1S/C20H31NO2/c1-20(2,3)23-13-7-10-14-15-8-4-5-11-17(15)21-19-16(14)9-6-12-18(19)22/h18,22H,4-13H2,1-3H3
InChIKeyIDCQCVKYCJIKMU-UHFFFAOYSA-N
MW317.47 g/mol
LogP4.08
Rot. Bonds4

About 9-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,2,3,4,5,6,7,8-octahydroacridin-4-ol

9-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,2,3,4,5,6,7,8-octahydroacridin-4-ol (PubChem CID 10041540) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is 9-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,2,3,4,5,6,7,8-octahydroacridin-4-ol.

Molecular Properties

Compound Name9-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,2,3,4,5,6,7,8-octahydroacridin-4-ol
PubChem CID10041540
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC Name9-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,2,3,4,5,6,7,8-octahydroacridin-4-ol
SMILESCC(C)(C)OCCCc1c2c(nc3c1CCCC3O)CCCC2
InChIInChI=1S/C20H31NO2/c1-20(2,3)23-13-7-10-14-15-8-4-5-11-17(15)21-19-16(14)9-6-12-18(19)22/h18,22H,4-13H2,1-3H3
InChIKeyIDCQCVKYCJIKMU-UHFFFAOYSA-N
XLogP4.08
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,2,3,4,5,6,7,8-octahydroacridin-4-ol with MolForge

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Related Compounds

9-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,3,5,6,7,8-hexahydro-1H-acridin-4-one
CID 10852844
(3E)-9-[3-[(2-methylpropan-2-yl)oxy]propyl]-3-(2-methylpropylidene)-1,2,5,6,7,8-hexahydroacridin-4-one
CID 10619109
2,4-dimethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 56601921
2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinolin-8-ol
CID 66714428
2-(2-ethoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 116728218
2-(2-ethoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 106815184
2-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-ol
CID 84717225
2-(3-ethoxypentan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 116775276
2-fluoro-3-[4-methyl-6-[(2-methylpropan-2-yl)oxyamino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
CID 138469341
6-cyclopentyl-1,2,3,4,7,8,9,10-octahydrophenanthridine
CID 71384619
2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 79413051
4-chloro-2-(3-methoxypropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 65095175

Frequently Asked Questions

What is the IUPAC name of 9-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,2,3,4,5,6,7,8-octahydroacridin-4-ol?
The IUPAC name of 9-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,2,3,4,5,6,7,8-octahydroacridin-4-ol (CID 10041540) is 9-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,2,3,4,5,6,7,8-octahydroacridin-4-ol.
What is the SMILES notation for 9-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,2,3,4,5,6,7,8-octahydroacridin-4-ol?
The canonical SMILES for 9-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,2,3,4,5,6,7,8-octahydroacridin-4-ol is CC(C)(C)OCCCc1c2c(nc3c1CCCC3O)CCCC2.
What is the InChIKey of 9-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,2,3,4,5,6,7,8-octahydroacridin-4-ol?
The InChIKey is IDCQCVKYCJIKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2/c1-20(2,3)23-13-7-10-14-15-8-4-5-11-17(15)21-19-16(14)9-6-12-18(19)22/h18,22H,4-13H2,1-3H3.
What are the key properties of 9-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,2,3,4,5,6,7,8-octahydroacridin-4-ol?
9-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,2,3,4,5,6,7,8-octahydroacridin-4-ol has a molecular weight of 317.47 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,2,3,4,5,6,7,8-octahydroacridin-4-ol is sourced from PubChem (CID 10041540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).