7-methyl-2-propan-2-yl-2-azabicyclo[3.3.1]nonane

C12H23N — CID 174363845

IUPAC7-methyl-2-propan-2-yl-2-azabicyclo[3.3.1]nonane
SMILESCC1CC2CCN(C(C)C)C(C1)C2
InChIInChI=1S/C12H23N/c1-9(2)13-5-4-11-6-10(3)7-12(13)8-11/h9-12H,4-8H2,1-3H3
InChIKeyNWAHKJVFONYRDI-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.91
Rot. Bonds1

About 7-methyl-2-propan-2-yl-2-azabicyclo[3.3.1]nonane

7-methyl-2-propan-2-yl-2-azabicyclo[3.3.1]nonane (PubChem CID 174363845) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 7-methyl-2-propan-2-yl-2-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name7-methyl-2-propan-2-yl-2-azabicyclo[3.3.1]nonane
PubChem CID174363845
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name7-methyl-2-propan-2-yl-2-azabicyclo[3.3.1]nonane
SMILESCC1CC2CCN(C(C)C)C(C1)C2
InChIInChI=1S/C12H23N/c1-9(2)13-5-4-11-6-10(3)7-12(13)8-11/h9-12H,4-8H2,1-3H3
InChIKeyNWAHKJVFONYRDI-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 7-methyl-2-propan-2-yl-2-azabicyclo[3.3.1]nonane?
The IUPAC name of 7-methyl-2-propan-2-yl-2-azabicyclo[3.3.1]nonane (CID 174363845) is 7-methyl-2-propan-2-yl-2-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 7-methyl-2-propan-2-yl-2-azabicyclo[3.3.1]nonane?
The canonical SMILES for 7-methyl-2-propan-2-yl-2-azabicyclo[3.3.1]nonane is CC1CC2CCN(C(C)C)C(C1)C2.
What is the InChIKey of 7-methyl-2-propan-2-yl-2-azabicyclo[3.3.1]nonane?
The InChIKey is NWAHKJVFONYRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-9(2)13-5-4-11-6-10(3)7-12(13)8-11/h9-12H,4-8H2,1-3H3.
What are the key properties of 7-methyl-2-propan-2-yl-2-azabicyclo[3.3.1]nonane?
7-methyl-2-propan-2-yl-2-azabicyclo[3.3.1]nonane 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 7-methyl-2-propan-2-yl-2-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 174363845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).