2-amino-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-ol

C11H23N3O — CID 79170623

IUPAC2-amino-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-ol
SMILESCN1C2CCC1CN(CC(N)CO)CC2
InChIInChI=1S/C11H23N3O/c1-13-10-2-3-11(13)7-14(5-4-10)6-9(12)8-15/h9-11,15H,2-8,12H2,1H3
InChIKeyXCNHIRGQBPABHY-UHFFFAOYSA-N
MW213.32 g/mol
LogP-0.53
Rot. Bonds3

About 2-amino-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-ol

2-amino-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-ol (PubChem CID 79170623) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-amino-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-ol
PubChem CID79170623
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-amino-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-ol
SMILESCN1C2CCC1CN(CC(N)CO)CC2
InChIInChI=1S/C11H23N3O/c1-13-10-2-3-11(13)7-14(5-4-10)6-9(12)8-15/h9-11,15H,2-8,12H2,1H3
InChIKeyXCNHIRGQBPABHY-UHFFFAOYSA-N
XLogP-0.53
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-ol
CID 64791499
6-methyl-7-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)heptan-2-amine
CID 79170849
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-(oxolan-3-yl)ethanamine
CID 113448316
2-amino-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 64797165
5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-2-amine
CID 79175495
3-(2,2-diethoxyethyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79175351
1-(tert-butylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol
CID 115475429
1-ethoxy-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol
CID 79089781
1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexan-1-ol
CID 115277735
2-amino-3-(3-methoxypiperidin-1-yl)propan-1-ol
CID 102968945
1-cyclohexyl-N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 104746658
2-(cyclopropylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoic acid
CID 79174738

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-ol?
The IUPAC name of 2-amino-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-ol (CID 79170623) is 2-amino-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-ol.
What is the SMILES notation for 2-amino-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-ol?
The canonical SMILES for 2-amino-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-ol is CN1C2CCC1CN(CC(N)CO)CC2.
What is the InChIKey of 2-amino-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-ol?
The InChIKey is XCNHIRGQBPABHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-13-10-2-3-11(13)7-14(5-4-10)6-9(12)8-15/h9-11,15H,2-8,12H2,1H3.
What are the key properties of 2-amino-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-ol?
2-amino-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-ol has a molecular weight of 213.32 g/mol, XLogP of -0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-ol is sourced from PubChem (CID 79170623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).