N-methyl-8-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine

C17H31N3 — CID 65472059

IUPACN-methyl-8-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2C1CC2CCCC(C1)N2C
InChIInChI=1S/C17H31N3/c1-18-12-8-15-6-7-16(9-12)20(15)17-10-13-4-3-5-14(11-17)19(13)2/h12-18H,3-11H2,1-2H3
InChIKeyQCUQRIZSNOZETJ-UHFFFAOYSA-N
MW277.46 g/mol
LogP2.22
Rot. Bonds2

About N-methyl-8-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine

N-methyl-8-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 65472059) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-methyl-8-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-methyl-8-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID65472059
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-methyl-8-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2C1CC2CCCC(C1)N2C
InChIInChI=1S/C17H31N3/c1-18-12-8-15-6-7-16(9-12)20(15)17-10-13-4-3-5-14(11-17)19(13)2/h12-18H,3-11H2,1-2H3
InChIKeyQCUQRIZSNOZETJ-UHFFFAOYSA-N
XLogP2.22
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-8-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-methyl-8-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine (CID 65472059) is N-methyl-8-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-methyl-8-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-methyl-8-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine is CNC1CC2CCC(C1)N2C1CC2CCCC(C1)N2C.
What is the InChIKey of N-methyl-8-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is QCUQRIZSNOZETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-18-12-8-15-6-7-16(9-12)20(15)17-10-13-4-3-5-14(11-17)19(13)2/h12-18H,3-11H2,1-2H3.
What are the key properties of N-methyl-8-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine?
N-methyl-8-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 277.46 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-8-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 65472059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).