1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)butan-2-ol

C14H27NO — CID 3595892

IUPAC1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)butan-2-ol
SMILESCCC(O)CN1CC2(C)CC1CC(C)(C)C2
InChIInChI=1S/C14H27NO/c1-5-12(16)8-15-10-14(4)7-11(15)6-13(2,3)9-14/h11-12,16H,5-10H2,1-4H3
InChIKeyXIXPVYLUIZUNDK-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.66
Rot. Bonds3

About 1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)butan-2-ol

1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)butan-2-ol (PubChem CID 3595892) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)butan-2-ol.

Molecular Properties

Compound Name1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)butan-2-ol
PubChem CID3595892
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)butan-2-ol
SMILESCCC(O)CN1CC2(C)CC1CC(C)(C)C2
InChIInChI=1S/C14H27NO/c1-5-12(16)8-15-10-14(4)7-11(15)6-13(2,3)9-14/h11-12,16H,5-10H2,1-4H3
InChIKeyXIXPVYLUIZUNDK-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)butan-2-ol?
The IUPAC name of 1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)butan-2-ol (CID 3595892) is 1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)butan-2-ol.
What is the SMILES notation for 1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)butan-2-ol?
The canonical SMILES for 1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)butan-2-ol is CCC(O)CN1CC2(C)CC1CC(C)(C)C2.
What is the InChIKey of 1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)butan-2-ol?
The InChIKey is XIXPVYLUIZUNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-5-12(16)8-15-10-14(4)7-11(15)6-13(2,3)9-14/h11-12,16H,5-10H2,1-4H3.
What are the key properties of 1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)butan-2-ol?
1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)butan-2-ol has a molecular weight of 225.38 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)butan-2-ol is sourced from PubChem (CID 3595892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).