8-butan-2-yl-3-propan-2-yl-8-azabicyclo[3.2.1]octane

C14H27N — CID 71286586

IUPAC8-butan-2-yl-3-propan-2-yl-8-azabicyclo[3.2.1]octane
SMILESCCC(C)N1C2CCC1CC(C(C)C)C2
InChIInChI=1S/C14H27N/c1-5-11(4)15-13-6-7-14(15)9-12(8-13)10(2)3/h10-14H,5-9H2,1-4H3
InChIKeyXNJGCJPAVGTLFM-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.68
Rot. Bonds3

About 8-butan-2-yl-3-propan-2-yl-8-azabicyclo[3.2.1]octane

8-butan-2-yl-3-propan-2-yl-8-azabicyclo[3.2.1]octane (PubChem CID 71286586) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 8-butan-2-yl-3-propan-2-yl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-butan-2-yl-3-propan-2-yl-8-azabicyclo[3.2.1]octane
PubChem CID71286586
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name8-butan-2-yl-3-propan-2-yl-8-azabicyclo[3.2.1]octane
SMILESCCC(C)N1C2CCC1CC(C(C)C)C2
InChIInChI=1S/C14H27N/c1-5-11(4)15-13-6-7-14(15)9-12(8-13)10(2)3/h10-14H,5-9H2,1-4H3
InChIKeyXNJGCJPAVGTLFM-UHFFFAOYSA-N
XLogP3.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-butan-2-yl-3-propan-2-yl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-butan-2-yl-3-propan-2-yl-8-azabicyclo[3.2.1]octane (CID 71286586) is 8-butan-2-yl-3-propan-2-yl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-butan-2-yl-3-propan-2-yl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-butan-2-yl-3-propan-2-yl-8-azabicyclo[3.2.1]octane is CCC(C)N1C2CCC1CC(C(C)C)C2.
What is the InChIKey of 8-butan-2-yl-3-propan-2-yl-8-azabicyclo[3.2.1]octane?
The InChIKey is XNJGCJPAVGTLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-5-11(4)15-13-6-7-14(15)9-12(8-13)10(2)3/h10-14H,5-9H2,1-4H3.
What are the key properties of 8-butan-2-yl-3-propan-2-yl-8-azabicyclo[3.2.1]octane?
8-butan-2-yl-3-propan-2-yl-8-azabicyclo[3.2.1]octane has a molecular weight of 209.38 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butan-2-yl-3-propan-2-yl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 71286586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).