(4R,5R)-2,2,4-trimethyl-6-methylidene-3-azabicyclo[3.3.1]nonane

C12H21N — CID 6710285

IUPAC(4R,5R)-2,2,4-trimethyl-6-methylidene-3-azabicyclo[3.3.1]nonane
SMILESC=C1CCC2C[C@H]1[C@@H](C)NC2(C)C
InChIInChI=1S/C12H21N/c1-8-5-6-10-7-11(8)9(2)13-12(10,3)4/h9-11,13H,1,5-7H2,2-4H3/t9-,10?,11-/m1/s1
InChIKeyOCJWLGYTEAYOPG-GLYLRITDSA-N
MW179.31 g/mol
LogP2.73
Rot. Bonds

About (4R,5R)-2,2,4-trimethyl-6-methylidene-3-azabicyclo[3.3.1]nonane

(4R,5R)-2,2,4-trimethyl-6-methylidene-3-azabicyclo[3.3.1]nonane (PubChem CID 6710285) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (4R,5R)-2,2,4-trimethyl-6-methylidene-3-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(4R,5R)-2,2,4-trimethyl-6-methylidene-3-azabicyclo[3.3.1]nonane
PubChem CID6710285
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(4R,5R)-2,2,4-trimethyl-6-methylidene-3-azabicyclo[3.3.1]nonane
SMILESC=C1CCC2C[C@H]1[C@@H](C)NC2(C)C
InChIInChI=1S/C12H21N/c1-8-5-6-10-7-11(8)9(2)13-12(10,3)4/h9-11,13H,1,5-7H2,2-4H3/t9-,10?,11-/m1/s1
InChIKeyOCJWLGYTEAYOPG-GLYLRITDSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
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 (4R,5R)-2,2,4-trimethyl-6-methylidene-3-azabicyclo[3.3.1]nonane?
The IUPAC name of (4R,5R)-2,2,4-trimethyl-6-methylidene-3-azabicyclo[3.3.1]nonane (CID 6710285) is (4R,5R)-2,2,4-trimethyl-6-methylidene-3-azabicyclo[3.3.1]nonane.
What is the SMILES notation for (4R,5R)-2,2,4-trimethyl-6-methylidene-3-azabicyclo[3.3.1]nonane?
The canonical SMILES for (4R,5R)-2,2,4-trimethyl-6-methylidene-3-azabicyclo[3.3.1]nonane is C=C1CCC2C[C@H]1[C@@H](C)NC2(C)C.
What is the InChIKey of (4R,5R)-2,2,4-trimethyl-6-methylidene-3-azabicyclo[3.3.1]nonane?
The InChIKey is OCJWLGYTEAYOPG-GLYLRITDSA-N. The full InChI is InChI=1S/C12H21N/c1-8-5-6-10-7-11(8)9(2)13-12(10,3)4/h9-11,13H,1,5-7H2,2-4H3/t9-,10?,11-/m1/s1.
What are the key properties of (4R,5R)-2,2,4-trimethyl-6-methylidene-3-azabicyclo[3.3.1]nonane?
(4R,5R)-2,2,4-trimethyl-6-methylidene-3-azabicyclo[3.3.1]nonane has a molecular weight of 179.31 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2,2,4-trimethyl-6-methylidene-3-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 6710285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).