8-propan-2-yl-8-azabicyclo[4.3.1]decane

C12H23N — CID 58967884

IUPAC8-propan-2-yl-8-azabicyclo[4.3.1]decane
SMILESCC(C)N1CC2CCCCC(C2)C1
InChIInChI=1S/C12H23N/c1-10(2)13-8-11-5-3-4-6-12(7-11)9-13/h10-12H,3-9H2,1-2H3
InChIKeyWYIIJMSCBYCOTA-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.91
Rot. Bonds1

About 8-propan-2-yl-8-azabicyclo[4.3.1]decane

8-propan-2-yl-8-azabicyclo[4.3.1]decane (PubChem CID 58967884) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 8-propan-2-yl-8-azabicyclo[4.3.1]decane.

Molecular Properties

Compound Name8-propan-2-yl-8-azabicyclo[4.3.1]decane
PubChem CID58967884
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name8-propan-2-yl-8-azabicyclo[4.3.1]decane
SMILESCC(C)N1CC2CCCCC(C2)C1
InChIInChI=1S/C12H23N/c1-10(2)13-8-11-5-3-4-6-12(7-11)9-13/h10-12H,3-9H2,1-2H3
InChIKeyWYIIJMSCBYCOTA-UHFFFAOYSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-8-azabicyclo[4.3.1]decane?
The IUPAC name of 8-propan-2-yl-8-azabicyclo[4.3.1]decane (CID 58967884) is 8-propan-2-yl-8-azabicyclo[4.3.1]decane.
What is the SMILES notation for 8-propan-2-yl-8-azabicyclo[4.3.1]decane?
The canonical SMILES for 8-propan-2-yl-8-azabicyclo[4.3.1]decane is CC(C)N1CC2CCCCC(C2)C1.
What is the InChIKey of 8-propan-2-yl-8-azabicyclo[4.3.1]decane?
The InChIKey is WYIIJMSCBYCOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-10(2)13-8-11-5-3-4-6-12(7-11)9-13/h10-12H,3-9H2,1-2H3.
What are the key properties of 8-propan-2-yl-8-azabicyclo[4.3.1]decane?
8-propan-2-yl-8-azabicyclo[4.3.1]decane has a molecular weight of 181.32 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-8-azabicyclo[4.3.1]decane is sourced from PubChem (CID 58967884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).