N-ethyl-9-(2-ethylhexyl)-9-azabicyclo[3.3.1]nonan-3-amine

C18H36N2 — CID 107818235

IUPACN-ethyl-9-(2-ethylhexyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCCC(CC)CN1C2CCCC1CC(NCC)C2
InChIInChI=1S/C18H36N2/c1-4-7-9-15(5-2)14-20-17-10-8-11-18(20)13-16(12-17)19-6-3/h15-19H,4-14H2,1-3H3
InChIKeyFTSWMCWSBGIUEQ-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.20
Rot. Bonds8

About N-ethyl-9-(2-ethylhexyl)-9-azabicyclo[3.3.1]nonan-3-amine

N-ethyl-9-(2-ethylhexyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 107818235) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N-ethyl-9-(2-ethylhexyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-ethyl-9-(2-ethylhexyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID107818235
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN-ethyl-9-(2-ethylhexyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCCC(CC)CN1C2CCCC1CC(NCC)C2
InChIInChI=1S/C18H36N2/c1-4-7-9-15(5-2)14-20-17-10-8-11-18(20)13-16(12-17)19-6-3/h15-19H,4-14H2,1-3H3
InChIKeyFTSWMCWSBGIUEQ-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-9-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712172
N-ethyl-1-(2-ethylhexyl)pyrrolidin-3-amine
CID 107815392
9-(cyclobutylmethyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713983
N-ethyl-9-pentan-3-yl-9-azabicyclo[3.3.1]nonan-3-amine
CID 55105982
N-ethyl-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712214
8-[2-(dimethylamino)propyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55107250
9-cycloheptyl-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 55106081
9-(2-methylsulfanylpropyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 113466928
1-cyclobutyl-N,3-diethylheptan-1-amine
CID 64987044
9-methyl-N-octyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472549
N-hexyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65470840
N,3-diethyl-1-(2-ethylhexyl)piperidin-4-amine
CID 114507460

Frequently Asked Questions

What is the IUPAC name of N-ethyl-9-(2-ethylhexyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-ethyl-9-(2-ethylhexyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 107818235) is N-ethyl-9-(2-ethylhexyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-ethyl-9-(2-ethylhexyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-ethyl-9-(2-ethylhexyl)-9-azabicyclo[3.3.1]nonan-3-amine is CCCCC(CC)CN1C2CCCC1CC(NCC)C2.
What is the InChIKey of N-ethyl-9-(2-ethylhexyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is FTSWMCWSBGIUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-4-7-9-15(5-2)14-20-17-10-8-11-18(20)13-16(12-17)19-6-3/h15-19H,4-14H2,1-3H3.
What are the key properties of N-ethyl-9-(2-ethylhexyl)-9-azabicyclo[3.3.1]nonan-3-amine?
N-ethyl-9-(2-ethylhexyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 280.50 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-9-(2-ethylhexyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 107818235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).