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

C16H32N2O2 — CID 107262875

IUPAC1-butoxy-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol
SMILESCCCCOCC(O)CNC1CC2CCCC(C1)N2C
InChIInChI=1S/C16H32N2O2/c1-3-4-8-20-12-16(19)11-17-13-9-14-6-5-7-15(10-13)18(14)2/h13-17,19H,3-12H2,1-2H3
InChIKeyNEIQWFORIJOODM-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.77
Rot. Bonds8

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

1-butoxy-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol (PubChem CID 107262875) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 1-butoxy-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-butoxy-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol
PubChem CID107262875
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name1-butoxy-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol
SMILESCCCCOCC(O)CNC1CC2CCCC(C1)N2C
InChIInChI=1S/C16H32N2O2/c1-3-4-8-20-12-16(19)11-17-13-9-14-6-5-7-15(10-13)18(14)2/h13-17,19H,3-12H2,1-2H3
InChIKeyNEIQWFORIJOODM-UHFFFAOYSA-N
XLogP1.77
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

1-(2-ethoxyethoxy)-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol
CID 65472582
1-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 65472026
1-(cyclobutylamino)-3-hexoxypropan-2-ol
CID 62415937
1-(2-butoxyethoxy)-3-(cyclopentylamino)propan-2-ol
CID 60635270
1-(2-butoxyethoxy)-3-(cyclohexylamino)propan-2-ol
CID 60633253
1-butoxy-3-[(3-methylcyclopentyl)amino]propan-2-ol
CID 107263143
1-butoxy-3-[(4-ethylcyclohexyl)amino]propan-2-ol
CID 107262664
1-(cyclooctylamino)-3-hexoxypropan-2-ol
CID 60635229
1-hexoxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 60909698
1-[(1-methylpiperidin-4-yl)amino]-3-octoxypropan-2-ol
CID 60909696
5-[(3-butoxy-2-hydroxypropyl)amino]-1-methylpiperidin-2-one
CID 107262846
N-hexyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65470840

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol?
The IUPAC name of 1-butoxy-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol (CID 107262875) is 1-butoxy-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol.
What is the SMILES notation for 1-butoxy-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol?
The canonical SMILES for 1-butoxy-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol is CCCCOCC(O)CNC1CC2CCCC(C1)N2C.
What is the InChIKey of 1-butoxy-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol?
The InChIKey is NEIQWFORIJOODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-3-4-8-20-12-16(19)11-17-13-9-14-6-5-7-15(10-13)18(14)2/h13-17,19H,3-12H2,1-2H3.
What are the key properties of 1-butoxy-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol?
1-butoxy-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol has a molecular weight of 284.44 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol is sourced from PubChem (CID 107262875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).