8-[4,4-dimethyl-3-(methylamino)pentyl]-8-azabicyclo[3.2.1]octan-3-ol

C15H30N2O — CID 63769276

IUPAC8-[4,4-dimethyl-3-(methylamino)pentyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCNC(CCN1C2CCC1CC(O)C2)C(C)(C)C
InChIInChI=1S/C15H30N2O/c1-15(2,3)14(16-4)7-8-17-11-5-6-12(17)10-13(18)9-11/h11-14,16,18H,5-10H2,1-4H3
InChIKeyDMCVSZYXNGRWFZ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.00
Rot. Bonds4

About 8-[4,4-dimethyl-3-(methylamino)pentyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[4,4-dimethyl-3-(methylamino)pentyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63769276) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 8-[4,4-dimethyl-3-(methylamino)pentyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[4,4-dimethyl-3-(methylamino)pentyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63769276
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name8-[4,4-dimethyl-3-(methylamino)pentyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCNC(CCN1C2CCC1CC(O)C2)C(C)(C)C
InChIInChI=1S/C15H30N2O/c1-15(2,3)14(16-4)7-8-17-11-5-6-12(17)10-13(18)9-11/h11-14,16,18H,5-10H2,1-4H3
InChIKeyDMCVSZYXNGRWFZ-UHFFFAOYSA-N
XLogP2.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[4,4-dimethyl-3-(methylamino)pentyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[4,4-dimethyl-3-(methylamino)pentyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 63769276) is 8-[4,4-dimethyl-3-(methylamino)pentyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[4,4-dimethyl-3-(methylamino)pentyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[4,4-dimethyl-3-(methylamino)pentyl]-8-azabicyclo[3.2.1]octan-3-ol is CNC(CCN1C2CCC1CC(O)C2)C(C)(C)C.
What is the InChIKey of 8-[4,4-dimethyl-3-(methylamino)pentyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is DMCVSZYXNGRWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-15(2,3)14(16-4)7-8-17-11-5-6-12(17)10-13(18)9-11/h11-14,16,18H,5-10H2,1-4H3.
What are the key properties of 8-[4,4-dimethyl-3-(methylamino)pentyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[4,4-dimethyl-3-(methylamino)pentyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 254.42 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4,4-dimethyl-3-(methylamino)pentyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63769276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).