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

C15H27N — CID 6710287

IUPAC(4R,5R)-2,2-dimethyl-6-methylidene-4-(2-methylpropyl)-3-azabicyclo[3.3.1]nonane
SMILESC=C1CCC2C[C@H]1[C@@H](CC(C)C)NC2(C)C
InChIInChI=1S/C15H27N/c1-10(2)8-14-13-9-12(7-6-11(13)3)15(4,5)16-14/h10,12-14,16H,3,6-9H2,1-2,4-5H3/t12?,13-,14-/m1/s1
InChIKeyBTITZFGDIMUTCT-ILMHWDKJSA-N
MW221.39 g/mol
LogP3.76
Rot. Bonds2

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

(4R,5R)-2,2-dimethyl-6-methylidene-4-(2-methylpropyl)-3-azabicyclo[3.3.1]nonane (PubChem CID 6710287) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is (4R,5R)-2,2-dimethyl-6-methylidene-4-(2-methylpropyl)-3-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(4R,5R)-2,2-dimethyl-6-methylidene-4-(2-methylpropyl)-3-azabicyclo[3.3.1]nonane
PubChem CID6710287
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name(4R,5R)-2,2-dimethyl-6-methylidene-4-(2-methylpropyl)-3-azabicyclo[3.3.1]nonane
SMILESC=C1CCC2C[C@H]1[C@@H](CC(C)C)NC2(C)C
InChIInChI=1S/C15H27N/c1-10(2)8-14-13-9-12(7-6-11(13)3)15(4,5)16-14/h10,12-14,16H,3,6-9H2,1-2,4-5H3/t12?,13-,14-/m1/s1
InChIKeyBTITZFGDIMUTCT-ILMHWDKJSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.76
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-dimethyl-6-methylidene-4-(2-methylpropyl)-3-azabicyclo[3.3.1]nonane?
The IUPAC name of (4R,5R)-2,2-dimethyl-6-methylidene-4-(2-methylpropyl)-3-azabicyclo[3.3.1]nonane (CID 6710287) is (4R,5R)-2,2-dimethyl-6-methylidene-4-(2-methylpropyl)-3-azabicyclo[3.3.1]nonane.
What is the SMILES notation for (4R,5R)-2,2-dimethyl-6-methylidene-4-(2-methylpropyl)-3-azabicyclo[3.3.1]nonane?
The canonical SMILES for (4R,5R)-2,2-dimethyl-6-methylidene-4-(2-methylpropyl)-3-azabicyclo[3.3.1]nonane is C=C1CCC2C[C@H]1[C@@H](CC(C)C)NC2(C)C.
What is the InChIKey of (4R,5R)-2,2-dimethyl-6-methylidene-4-(2-methylpropyl)-3-azabicyclo[3.3.1]nonane?
The InChIKey is BTITZFGDIMUTCT-ILMHWDKJSA-N. The full InChI is InChI=1S/C15H27N/c1-10(2)8-14-13-9-12(7-6-11(13)3)15(4,5)16-14/h10,12-14,16H,3,6-9H2,1-2,4-5H3/t12?,13-,14-/m1/s1.
What are the key properties of (4R,5R)-2,2-dimethyl-6-methylidene-4-(2-methylpropyl)-3-azabicyclo[3.3.1]nonane?
(4R,5R)-2,2-dimethyl-6-methylidene-4-(2-methylpropyl)-3-azabicyclo[3.3.1]nonane has a molecular weight of 221.39 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2,2-dimethyl-6-methylidene-4-(2-methylpropyl)-3-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 6710287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).