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

C13H24N2 — CID 62712235

IUPACN-methyl-9-(2-methylcyclopropyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2C1CC1C
InChIInChI=1S/C13H24N2/c1-9-6-13(9)15-11-4-3-5-12(15)8-10(7-11)14-2/h9-14H,3-8H2,1-2H3
InChIKeyLUXCAUSIDMQWDH-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.00
Rot. Bonds2

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

N-methyl-9-(2-methylcyclopropyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62712235) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N-methyl-9-(2-methylcyclopropyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-methyl-9-(2-methylcyclopropyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62712235
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN-methyl-9-(2-methylcyclopropyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2C1CC1C
InChIInChI=1S/C13H24N2/c1-9-6-13(9)15-11-4-3-5-12(15)8-10(7-11)14-2/h9-14H,3-8H2,1-2H3
InChIKeyLUXCAUSIDMQWDH-UHFFFAOYSA-N
XLogP2.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-9-(2-methylcyclopropyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-methyl-9-(2-methylcyclopropyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 62712235) is N-methyl-9-(2-methylcyclopropyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-methyl-9-(2-methylcyclopropyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-methyl-9-(2-methylcyclopropyl)-9-azabicyclo[3.3.1]nonan-3-amine is CNC1CC2CCCC(C1)N2C1CC1C.
What is the InChIKey of N-methyl-9-(2-methylcyclopropyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is LUXCAUSIDMQWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-9-6-13(9)15-11-4-3-5-12(15)8-10(7-11)14-2/h9-14H,3-8H2,1-2H3.
What are the key properties of N-methyl-9-(2-methylcyclopropyl)-9-azabicyclo[3.3.1]nonan-3-amine?
N-methyl-9-(2-methylcyclopropyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 208.35 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-9-(2-methylcyclopropyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62712235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).