N-methyl-9-(3-methyl-2-propan-2-ylbutyl)-9-azabicyclo[3.3.1]nonan-3-amine

C17H34N2 — CID 102908223

IUPACN-methyl-9-(3-methyl-2-propan-2-ylbutyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2CC(C(C)C)C(C)C
InChIInChI=1S/C17H34N2/c1-12(2)17(13(3)4)11-19-15-7-6-8-16(19)10-14(9-15)18-5/h12-18H,6-11H2,1-5H3
InChIKeyXUVKOMFOTBETMN-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.52
Rot. Bonds5

About N-methyl-9-(3-methyl-2-propan-2-ylbutyl)-9-azabicyclo[3.3.1]nonan-3-amine

N-methyl-9-(3-methyl-2-propan-2-ylbutyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 102908223) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-methyl-9-(3-methyl-2-propan-2-ylbutyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-methyl-9-(3-methyl-2-propan-2-ylbutyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID102908223
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-methyl-9-(3-methyl-2-propan-2-ylbutyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2CC(C(C)C)C(C)C
InChIInChI=1S/C17H34N2/c1-12(2)17(13(3)4)11-19-15-7-6-8-16(19)10-14(9-15)18-5/h12-18H,6-11H2,1-5H3
InChIKeyXUVKOMFOTBETMN-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-9-(3-methyl-2-propan-2-ylbutyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-methyl-9-(3-methyl-2-propan-2-ylbutyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 102908223) is N-methyl-9-(3-methyl-2-propan-2-ylbutyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-methyl-9-(3-methyl-2-propan-2-ylbutyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-methyl-9-(3-methyl-2-propan-2-ylbutyl)-9-azabicyclo[3.3.1]nonan-3-amine is CNC1CC2CCCC(C1)N2CC(C(C)C)C(C)C.
What is the InChIKey of N-methyl-9-(3-methyl-2-propan-2-ylbutyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is XUVKOMFOTBETMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-12(2)17(13(3)4)11-19-15-7-6-8-16(19)10-14(9-15)18-5/h12-18H,6-11H2,1-5H3.
What are the key properties of N-methyl-9-(3-methyl-2-propan-2-ylbutyl)-9-azabicyclo[3.3.1]nonan-3-amine?
N-methyl-9-(3-methyl-2-propan-2-ylbutyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 266.47 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-9-(3-methyl-2-propan-2-ylbutyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 102908223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).