8-[2-[(cyclopropylamino)methyl]-2-methylbutyl]-8-azabicyclo[3.2.1]octan-3-ol

C16H30N2O — CID 55237613

IUPAC8-[2-[(cyclopropylamino)methyl]-2-methylbutyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCC(C)(CNC1CC1)CN1C2CCC1CC(O)C2
InChIInChI=1S/C16H30N2O/c1-3-16(2,10-17-12-4-5-12)11-18-13-6-7-14(18)9-15(19)8-13/h12-15,17,19H,3-11H2,1-2H3
InChIKeyYGSSJKFPWFWOCM-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.14
Rot. Bonds6

About 8-[2-[(cyclopropylamino)methyl]-2-methylbutyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[2-[(cyclopropylamino)methyl]-2-methylbutyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 55237613) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 8-[2-[(cyclopropylamino)methyl]-2-methylbutyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[2-[(cyclopropylamino)methyl]-2-methylbutyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID55237613
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name8-[2-[(cyclopropylamino)methyl]-2-methylbutyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCC(C)(CNC1CC1)CN1C2CCC1CC(O)C2
InChIInChI=1S/C16H30N2O/c1-3-16(2,10-17-12-4-5-12)11-18-13-6-7-14(18)9-15(19)8-13/h12-15,17,19H,3-11H2,1-2H3
InChIKeyYGSSJKFPWFWOCM-UHFFFAOYSA-N
XLogP2.14
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[(cyclopropylamino)methyl]-2-methylbutyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[2-[(cyclopropylamino)methyl]-2-methylbutyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 55237613) is 8-[2-[(cyclopropylamino)methyl]-2-methylbutyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[2-[(cyclopropylamino)methyl]-2-methylbutyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[2-[(cyclopropylamino)methyl]-2-methylbutyl]-8-azabicyclo[3.2.1]octan-3-ol is CCC(C)(CNC1CC1)CN1C2CCC1CC(O)C2.
What is the InChIKey of 8-[2-[(cyclopropylamino)methyl]-2-methylbutyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is YGSSJKFPWFWOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-3-16(2,10-17-12-4-5-12)11-18-13-6-7-14(18)9-15(19)8-13/h12-15,17,19H,3-11H2,1-2H3.
What are the key properties of 8-[2-[(cyclopropylamino)methyl]-2-methylbutyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[2-[(cyclopropylamino)methyl]-2-methylbutyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 266.43 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[(cyclopropylamino)methyl]-2-methylbutyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 55237613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).