1-(2-ethoxyethoxy)-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol

C16H32N2O3 — CID 65472582

IUPAC1-(2-ethoxyethoxy)-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol
SMILESCCOCCOCC(O)CNC1CC2CCCC(C1)N2C
InChIInChI=1S/C16H32N2O3/c1-3-20-7-8-21-12-16(19)11-17-13-9-14-5-4-6-15(10-13)18(14)2/h13-17,19H,3-12H2,1-2H3
InChIKeyYGGRAHRDIDLZAI-UHFFFAOYSA-N
MW300.44 g/mol
LogP1.01
Rot. Bonds9

About 1-(2-ethoxyethoxy)-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol

1-(2-ethoxyethoxy)-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol (PubChem CID 65472582) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is 1-(2-ethoxyethoxy)-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-ethoxyethoxy)-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol
PubChem CID65472582
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Name1-(2-ethoxyethoxy)-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol
SMILESCCOCCOCC(O)CNC1CC2CCCC(C1)N2C
InChIInChI=1S/C16H32N2O3/c1-3-20-7-8-21-12-16(19)11-17-13-9-14-5-4-6-15(10-13)18(14)2/h13-17,19H,3-12H2,1-2H3
InChIKeyYGGRAHRDIDLZAI-UHFFFAOYSA-N
XLogP1.01
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2-ethoxyethoxy)-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol with MolForge

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Related Compounds

1-butoxy-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol
CID 107262875
1-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 65472026
1-(cyclopropylamino)-3-ethoxypropan-2-ol
CID 43166145
1-(cycloheptylamino)-3-ethoxypropan-2-ol
CID 63933573
1-(2-ethoxyethoxy)-3-[(2-ethylcyclohexyl)amino]propan-2-ol
CID 61467310
1-(2-butoxyethoxy)-3-(cyclopentylamino)propan-2-ol
CID 60635270
1-(cyclobutylamino)-3-hexoxypropan-2-ol
CID 62415937
1-(2-butoxyethoxy)-3-(cyclohexylamino)propan-2-ol
CID 60633253
1,1,1-trifluoro-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol
CID 65471059
1-[[(1S)-1-cycloheptylethyl]amino]-3-(2-ethoxyethoxy)propan-2-ol
CID 81393423
1-ethoxy-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 63931912
1-(cyclooctylamino)-3-hexoxypropan-2-ol
CID 60635229

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethoxy)-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol?
The IUPAC name of 1-(2-ethoxyethoxy)-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol (CID 65472582) is 1-(2-ethoxyethoxy)-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(2-ethoxyethoxy)-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol?
The canonical SMILES for 1-(2-ethoxyethoxy)-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol is CCOCCOCC(O)CNC1CC2CCCC(C1)N2C.
What is the InChIKey of 1-(2-ethoxyethoxy)-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol?
The InChIKey is YGGRAHRDIDLZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-3-20-7-8-21-12-16(19)11-17-13-9-14-5-4-6-15(10-13)18(14)2/h13-17,19H,3-12H2,1-2H3.
What are the key properties of 1-(2-ethoxyethoxy)-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol?
1-(2-ethoxyethoxy)-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol has a molecular weight of 300.44 g/mol, XLogP of 1.01, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethoxy)-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol is sourced from PubChem (CID 65472582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).