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

C15H31N3O — CID 115475429

IUPAC1-(tert-butylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol
SMILESCN1C2CCC1CN(CC(O)CNC(C)(C)C)CC2
InChIInChI=1S/C15H31N3O/c1-15(2,3)16-9-14(19)11-18-8-7-12-5-6-13(10-18)17(12)4/h12-14,16,19H,5-11H2,1-4H3
InChIKeyMDDGRQVYGCURHA-UHFFFAOYSA-N
MW269.43 g/mol
LogP0.90
Rot. Bonds4

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

1-(tert-butylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol (PubChem CID 115475429) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol
PubChem CID115475429
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name1-(tert-butylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol
SMILESCN1C2CCC1CN(CC(O)CNC(C)(C)C)CC2
InChIInChI=1S/C15H31N3O/c1-15(2,3)16-9-14(19)11-18-8-7-12-5-6-13(10-18)17(12)4/h12-14,16,19H,5-11H2,1-4H3
InChIKeyMDDGRQVYGCURHA-UHFFFAOYSA-N
XLogP0.90
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(tert-butylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol with MolForge

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Related Compounds

1-ethoxy-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol
CID 79089781
1-(tert-butylamino)-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 113317564
1-(tert-butylamino)-3-(4-methylazepan-1-yl)propan-2-ol
CID 115475343
3,3-dimethyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-2-ol
CID 79170230
1-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-ol
CID 55160321
2-amino-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-ol
CID 79170623
N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 79174779
1-cyclohexyl-N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 104746658
methyl 2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(propylamino)propanoate
CID 79163895
3-(2,2-diethoxyethyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79175351
2-(cyclopropylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoic acid
CID 79174738
1-(tert-butylamino)-3-(4,4-dimethylazepan-1-yl)propan-2-ol
CID 115475401

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol (CID 115475429) is 1-(tert-butylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol is CN1C2CCC1CN(CC(O)CNC(C)(C)C)CC2.
What is the InChIKey of 1-(tert-butylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol?
The InChIKey is MDDGRQVYGCURHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-15(2,3)16-9-14(19)11-18-8-7-12-5-6-13(10-18)17(12)4/h12-14,16,19H,5-11H2,1-4H3.
What are the key properties of 1-(tert-butylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol?
1-(tert-butylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol has a molecular weight of 269.43 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol is sourced from PubChem (CID 115475429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).