N,3,5-trimethylbicyclo[5.1.1]non-1-en-3-amine

C12H21N — CID 138728892

IUPACN,3,5-trimethylbicyclo[5.1.1]non-1-en-3-amine
SMILESCNC1(C)C=C2CC(C2)CC(C)C1
InChIInChI=1S/C12H21N/c1-9-4-10-5-11(6-10)8-12(2,7-9)13-3/h8-10,13H,4-7H2,1-3H3/b11-8-
InChIKeyPVXJFLJQMYRJST-FLIBITNWSA-N
MW179.31 g/mol
LogP2.73
Rot. Bonds1

About N,3,5-trimethylbicyclo[5.1.1]non-1-en-3-amine

N,3,5-trimethylbicyclo[5.1.1]non-1-en-3-amine (PubChem CID 138728892) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N,3,5-trimethylbicyclo[5.1.1]non-1-en-3-amine.

Molecular Properties

Compound NameN,3,5-trimethylbicyclo[5.1.1]non-1-en-3-amine
PubChem CID138728892
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN,3,5-trimethylbicyclo[5.1.1]non-1-en-3-amine
SMILESCNC1(C)C=C2CC(C2)CC(C)C1
InChIInChI=1S/C12H21N/c1-9-4-10-5-11(6-10)8-12(2,7-9)13-3/h8-10,13H,4-7H2,1-3H3/b11-8-
InChIKeyPVXJFLJQMYRJST-FLIBITNWSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethylbicyclo[5.1.1]non-1-en-3-amine?
The IUPAC name of N,3,5-trimethylbicyclo[5.1.1]non-1-en-3-amine (CID 138728892) is N,3,5-trimethylbicyclo[5.1.1]non-1-en-3-amine.
What is the SMILES notation for N,3,5-trimethylbicyclo[5.1.1]non-1-en-3-amine?
The canonical SMILES for N,3,5-trimethylbicyclo[5.1.1]non-1-en-3-amine is CNC1(C)C=C2CC(C2)CC(C)C1.
What is the InChIKey of N,3,5-trimethylbicyclo[5.1.1]non-1-en-3-amine?
The InChIKey is PVXJFLJQMYRJST-FLIBITNWSA-N. The full InChI is InChI=1S/C12H21N/c1-9-4-10-5-11(6-10)8-12(2,7-9)13-3/h8-10,13H,4-7H2,1-3H3/b11-8-.
What are the key properties of N,3,5-trimethylbicyclo[5.1.1]non-1-en-3-amine?
N,3,5-trimethylbicyclo[5.1.1]non-1-en-3-amine has a molecular weight of 179.31 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethylbicyclo[5.1.1]non-1-en-3-amine is sourced from PubChem (CID 138728892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).