3-propan-2-yl-8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane

C11H19N5 — CID 67986584

IUPAC3-propan-2-yl-8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane
SMILESCC(C)N1CC2CCC(C1)C2n1cnnn1
InChIInChI=1S/C11H19N5/c1-8(2)15-5-9-3-4-10(6-15)11(9)16-7-12-13-14-16/h7-11H,3-6H2,1-2H3
InChIKeyDWRYJCVVRBQNAJ-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.96
Rot. Bonds2

About 3-propan-2-yl-8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane

3-propan-2-yl-8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane (PubChem CID 67986584) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 3-propan-2-yl-8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-propan-2-yl-8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane
PubChem CID67986584
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name3-propan-2-yl-8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane
SMILESCC(C)N1CC2CCC(C1)C2n1cnnn1
InChIInChI=1S/C11H19N5/c1-8(2)15-5-9-3-4-10(6-15)11(9)16-7-12-13-14-16/h7-11H,3-6H2,1-2H3
InChIKeyDWRYJCVVRBQNAJ-UHFFFAOYSA-N
XLogP0.96
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-propan-2-yl-8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 67972581
CID 67972581
CID 118230665
CID 118230665
CID 118232807
CID 118232807
CID 123394191
CID 123394191
CID 121505985
CID 121505985

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-propan-2-yl-8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane (CID 67986584) is 3-propan-2-yl-8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-propan-2-yl-8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-propan-2-yl-8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane is CC(C)N1CC2CCC(C1)C2n1cnnn1.
What is the InChIKey of 3-propan-2-yl-8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane?
The InChIKey is DWRYJCVVRBQNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-8(2)15-5-9-3-4-10(6-15)11(9)16-7-12-13-14-16/h7-11H,3-6H2,1-2H3.
What are the key properties of 3-propan-2-yl-8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane?
3-propan-2-yl-8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane has a molecular weight of 221.31 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 67986584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).