2-methyl-3-[(7S)-7-methyl-1-azabicyclo[2.2.1]heptan-2-yl]-1-azabicyclo[3.2.2]nonane

C16H28N2 — CID 155353893

IUPAC2-methyl-3-[(7S)-7-methyl-1-azabicyclo[2.2.1]heptan-2-yl]-1-azabicyclo[3.2.2]nonane
SMILESCC1C(C2CC3CCN2[C@H]3C)CC2CCN1CC2
InChIInChI=1S/C16H28N2/c1-11-14-5-8-18(11)16(10-14)15-9-13-3-6-17(7-4-13)12(15)2/h11-16H,3-10H2,1-2H3/t11-,12?,14?,15?,16?/m0/s1
InChIKeyQREPPSDHBSDRGA-PRWWTULLSA-N
MW248.41 g/mol
LogP2.59
Rot. Bonds1

About 2-methyl-3-[(7S)-7-methyl-1-azabicyclo[2.2.1]heptan-2-yl]-1-azabicyclo[3.2.2]nonane

2-methyl-3-[(7S)-7-methyl-1-azabicyclo[2.2.1]heptan-2-yl]-1-azabicyclo[3.2.2]nonane (PubChem CID 155353893) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-methyl-3-[(7S)-7-methyl-1-azabicyclo[2.2.1]heptan-2-yl]-1-azabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name2-methyl-3-[(7S)-7-methyl-1-azabicyclo[2.2.1]heptan-2-yl]-1-azabicyclo[3.2.2]nonane
PubChem CID155353893
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name2-methyl-3-[(7S)-7-methyl-1-azabicyclo[2.2.1]heptan-2-yl]-1-azabicyclo[3.2.2]nonane
SMILESCC1C(C2CC3CCN2[C@H]3C)CC2CCN1CC2
InChIInChI=1S/C16H28N2/c1-11-14-5-8-18(11)16(10-14)15-9-13-3-6-17(7-4-13)12(15)2/h11-16H,3-10H2,1-2H3/t11-,12?,14?,15?,16?/m0/s1
InChIKeyQREPPSDHBSDRGA-PRWWTULLSA-N
XLogP2.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(7S)-7-methyl-1-azabicyclo[2.2.1]heptan-2-yl]-1-azabicyclo[3.2.2]nonane?
The IUPAC name of 2-methyl-3-[(7S)-7-methyl-1-azabicyclo[2.2.1]heptan-2-yl]-1-azabicyclo[3.2.2]nonane (CID 155353893) is 2-methyl-3-[(7S)-7-methyl-1-azabicyclo[2.2.1]heptan-2-yl]-1-azabicyclo[3.2.2]nonane.
What is the SMILES notation for 2-methyl-3-[(7S)-7-methyl-1-azabicyclo[2.2.1]heptan-2-yl]-1-azabicyclo[3.2.2]nonane?
The canonical SMILES for 2-methyl-3-[(7S)-7-methyl-1-azabicyclo[2.2.1]heptan-2-yl]-1-azabicyclo[3.2.2]nonane is CC1C(C2CC3CCN2[C@H]3C)CC2CCN1CC2.
What is the InChIKey of 2-methyl-3-[(7S)-7-methyl-1-azabicyclo[2.2.1]heptan-2-yl]-1-azabicyclo[3.2.2]nonane?
The InChIKey is QREPPSDHBSDRGA-PRWWTULLSA-N. The full InChI is InChI=1S/C16H28N2/c1-11-14-5-8-18(11)16(10-14)15-9-13-3-6-17(7-4-13)12(15)2/h11-16H,3-10H2,1-2H3/t11-,12?,14?,15?,16?/m0/s1.
What are the key properties of 2-methyl-3-[(7S)-7-methyl-1-azabicyclo[2.2.1]heptan-2-yl]-1-azabicyclo[3.2.2]nonane?
2-methyl-3-[(7S)-7-methyl-1-azabicyclo[2.2.1]heptan-2-yl]-1-azabicyclo[3.2.2]nonane has a molecular weight of 248.41 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(7S)-7-methyl-1-azabicyclo[2.2.1]heptan-2-yl]-1-azabicyclo[3.2.2]nonane is sourced from PubChem (CID 155353893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).