3-methyl-3-propan-2-yl-9-azabicyclo[4.2.1]nonane

C12H23N — CID 134214633

IUPAC3-methyl-3-propan-2-yl-9-azabicyclo[4.2.1]nonane
SMILESCC(C)C1(C)CCC2CCC(C1)N2
InChIInChI=1S/C12H23N/c1-9(2)12(3)7-6-10-4-5-11(8-12)13-10/h9-11,13H,4-8H2,1-3H3
InChIKeyHDXUWCUVULWGFA-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.95
Rot. Bonds1

About 3-methyl-3-propan-2-yl-9-azabicyclo[4.2.1]nonane

3-methyl-3-propan-2-yl-9-azabicyclo[4.2.1]nonane (PubChem CID 134214633) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 3-methyl-3-propan-2-yl-9-azabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name3-methyl-3-propan-2-yl-9-azabicyclo[4.2.1]nonane
PubChem CID134214633
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name3-methyl-3-propan-2-yl-9-azabicyclo[4.2.1]nonane
SMILESCC(C)C1(C)CCC2CCC(C1)N2
InChIInChI=1S/C12H23N/c1-9(2)12(3)7-6-10-4-5-11(8-12)13-10/h9-11,13H,4-8H2,1-3H3
InChIKeyHDXUWCUVULWGFA-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-propan-2-yl-9-azabicyclo[4.2.1]nonane?
The IUPAC name of 3-methyl-3-propan-2-yl-9-azabicyclo[4.2.1]nonane (CID 134214633) is 3-methyl-3-propan-2-yl-9-azabicyclo[4.2.1]nonane.
What is the SMILES notation for 3-methyl-3-propan-2-yl-9-azabicyclo[4.2.1]nonane?
The canonical SMILES for 3-methyl-3-propan-2-yl-9-azabicyclo[4.2.1]nonane is CC(C)C1(C)CCC2CCC(C1)N2.
What is the InChIKey of 3-methyl-3-propan-2-yl-9-azabicyclo[4.2.1]nonane?
The InChIKey is HDXUWCUVULWGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-9(2)12(3)7-6-10-4-5-11(8-12)13-10/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 3-methyl-3-propan-2-yl-9-azabicyclo[4.2.1]nonane?
3-methyl-3-propan-2-yl-9-azabicyclo[4.2.1]nonane has a molecular weight of 181.32 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-propan-2-yl-9-azabicyclo[4.2.1]nonane is sourced from PubChem (CID 134214633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).