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

C15H30N2O2 — CID 65472026

IUPAC1-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CNC1CC2CCCC(C1)N2C
InChIInChI=1S/C15H30N2O2/c1-11(2)19-10-15(18)9-16-12-7-13-5-4-6-14(8-12)17(13)3/h11-16,18H,4-10H2,1-3H3
InChIKeyBBCZYBPYCNYRMI-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.38
Rot. Bonds6

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

1-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 65472026) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-3-propan-2-yloxypropan-2-ol
PubChem CID65472026
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name1-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CNC1CC2CCCC(C1)N2C
InChIInChI=1S/C15H30N2O2/c1-11(2)19-10-15(18)9-16-12-7-13-5-4-6-14(8-12)17(13)3/h11-16,18H,4-10H2,1-3H3
InChIKeyBBCZYBPYCNYRMI-UHFFFAOYSA-N
XLogP1.38
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-3-propan-2-yloxypropan-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-butoxy-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol
CID 107262875
1-(cyclohexylamino)-3-propan-2-yloxypropan-2-ol
CID 60633332
1-[(1-methylpiperidin-4-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 60909990
1,1,1-trifluoro-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol
CID 65471059
1-[(2-methylcyclopropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 62396754
1-propan-2-yloxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol
CID 103966285
N-(cyclopentylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472545
1-[[(1R)-1-cyclohexylethyl]amino]-3-propan-2-yloxypropan-2-ol
CID 81385135
1-methoxy-3-[(3-propan-2-ylcyclohexyl)amino]propan-2-ol
CID 107448542
ethyl 4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]piperidine-1-carboxylate
CID 60632844
2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetic acid
CID 65470865

Frequently Asked Questions

What is the IUPAC name of 1-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-3-propan-2-yloxypropan-2-ol (CID 65472026) is 1-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CNC1CC2CCCC(C1)N2C.
What is the InChIKey of 1-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is BBCZYBPYCNYRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-11(2)19-10-15(18)9-16-12-7-13-5-4-6-14(8-12)17(13)3/h11-16,18H,4-10H2,1-3H3.
What are the key properties of 1-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-3-propan-2-yloxypropan-2-ol?
1-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 270.42 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 65472026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).