3,3,7-trimethylbicyclo[3.3.1]nonan-1-amine

C12H23N — CID 146861347

IUPAC3,3,7-trimethylbicyclo[3.3.1]nonan-1-amine
SMILESCC1CC2CC(C)(C)CC(N)(C1)C2
InChIInChI=1S/C12H23N/c1-9-4-10-6-11(2,3)8-12(13,5-9)7-10/h9-10H,4-8,13H2,1-3H3
InChIKeyIBWHGEAEZRBFSQ-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.94
Rot. Bonds

About 3,3,7-trimethylbicyclo[3.3.1]nonan-1-amine

3,3,7-trimethylbicyclo[3.3.1]nonan-1-amine (PubChem CID 146861347) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 3,3,7-trimethylbicyclo[3.3.1]nonan-1-amine.

Molecular Properties

Compound Name3,3,7-trimethylbicyclo[3.3.1]nonan-1-amine
PubChem CID146861347
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name3,3,7-trimethylbicyclo[3.3.1]nonan-1-amine
SMILESCC1CC2CC(C)(C)CC(N)(C1)C2
InChIInChI=1S/C12H23N/c1-9-4-10-6-11(2,3)8-12(13,5-9)7-10/h9-10H,4-8,13H2,1-3H3
InChIKeyIBWHGEAEZRBFSQ-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,7-trimethylbicyclo[3.3.1]nonan-1-amine?
The IUPAC name of 3,3,7-trimethylbicyclo[3.3.1]nonan-1-amine (CID 146861347) is 3,3,7-trimethylbicyclo[3.3.1]nonan-1-amine.
What is the SMILES notation for 3,3,7-trimethylbicyclo[3.3.1]nonan-1-amine?
The canonical SMILES for 3,3,7-trimethylbicyclo[3.3.1]nonan-1-amine is CC1CC2CC(C)(C)CC(N)(C1)C2.
What is the InChIKey of 3,3,7-trimethylbicyclo[3.3.1]nonan-1-amine?
The InChIKey is IBWHGEAEZRBFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-9-4-10-6-11(2,3)8-12(13,5-9)7-10/h9-10H,4-8,13H2,1-3H3.
What are the key properties of 3,3,7-trimethylbicyclo[3.3.1]nonan-1-amine?
3,3,7-trimethylbicyclo[3.3.1]nonan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,7-trimethylbicyclo[3.3.1]nonan-1-amine is sourced from PubChem (CID 146861347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).