9-methyl-2,3-di(propan-2-yl)-9-azabicyclo[3.3.1]nonane

C15H29N — CID 59285397

IUPAC9-methyl-2,3-di(propan-2-yl)-9-azabicyclo[3.3.1]nonane
SMILESCC(C)C1CC2CCCC(C1C(C)C)N2C
InChIInChI=1S/C15H29N/c1-10(2)13-9-12-7-6-8-14(16(12)5)15(13)11(3)4/h10-15H,6-9H2,1-5H3
InChIKeyJSEDMKJFOKXQMK-UHFFFAOYSA-N
MW223.40 g/mol
LogP3.79
Rot. Bonds2

About 9-methyl-2,3-di(propan-2-yl)-9-azabicyclo[3.3.1]nonane

9-methyl-2,3-di(propan-2-yl)-9-azabicyclo[3.3.1]nonane (PubChem CID 59285397) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 9-methyl-2,3-di(propan-2-yl)-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9-methyl-2,3-di(propan-2-yl)-9-azabicyclo[3.3.1]nonane
PubChem CID59285397
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name9-methyl-2,3-di(propan-2-yl)-9-azabicyclo[3.3.1]nonane
SMILESCC(C)C1CC2CCCC(C1C(C)C)N2C
InChIInChI=1S/C15H29N/c1-10(2)13-9-12-7-6-8-14(16(12)5)15(13)11(3)4/h10-15H,6-9H2,1-5H3
InChIKeyJSEDMKJFOKXQMK-UHFFFAOYSA-N
XLogP3.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2,3-di(propan-2-yl)-9-azabicyclo[3.3.1]nonane?
The IUPAC name of 9-methyl-2,3-di(propan-2-yl)-9-azabicyclo[3.3.1]nonane (CID 59285397) is 9-methyl-2,3-di(propan-2-yl)-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 9-methyl-2,3-di(propan-2-yl)-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for 9-methyl-2,3-di(propan-2-yl)-9-azabicyclo[3.3.1]nonane is CC(C)C1CC2CCCC(C1C(C)C)N2C.
What is the InChIKey of 9-methyl-2,3-di(propan-2-yl)-9-azabicyclo[3.3.1]nonane?
The InChIKey is JSEDMKJFOKXQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-10(2)13-9-12-7-6-8-14(16(12)5)15(13)11(3)4/h10-15H,6-9H2,1-5H3.
What are the key properties of 9-methyl-2,3-di(propan-2-yl)-9-azabicyclo[3.3.1]nonane?
9-methyl-2,3-di(propan-2-yl)-9-azabicyclo[3.3.1]nonane has a molecular weight of 223.40 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2,3-di(propan-2-yl)-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 59285397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).