2-[1-[(1S,4S)-2-ethyl-2-azabicyclo[2.2.1]heptan-6-yl]propan-2-yl]-2-azabicyclo[2.2.2]octane

C18H32N2 — CID 146639931

IUPAC2-[1-[(1S,4S)-2-ethyl-2-azabicyclo[2.2.1]heptan-6-yl]propan-2-yl]-2-azabicyclo[2.2.2]octane
SMILESCCN1C[C@H]2CC(CC(C)N3CC4CCC3CC4)[C@@H]1C2
InChIInChI=1S/C18H32N2/c1-3-19-11-15-9-16(18(19)10-15)8-13(2)20-12-14-4-6-17(20)7-5-14/h13-18H,3-12H2,1-2H3/t13?,14?,15-,16?,17?,18-/m0/s1
InChIKeyZMUPGEMNLIAEGA-NVMZUBJZSA-N
MW276.47 g/mol
LogP3.37
Rot. Bonds4

About 2-[1-[(1S,4S)-2-ethyl-2-azabicyclo[2.2.1]heptan-6-yl]propan-2-yl]-2-azabicyclo[2.2.2]octane

2-[1-[(1S,4S)-2-ethyl-2-azabicyclo[2.2.1]heptan-6-yl]propan-2-yl]-2-azabicyclo[2.2.2]octane (PubChem CID 146639931) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 2-[1-[(1S,4S)-2-ethyl-2-azabicyclo[2.2.1]heptan-6-yl]propan-2-yl]-2-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2-[1-[(1S,4S)-2-ethyl-2-azabicyclo[2.2.1]heptan-6-yl]propan-2-yl]-2-azabicyclo[2.2.2]octane
PubChem CID146639931
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name2-[1-[(1S,4S)-2-ethyl-2-azabicyclo[2.2.1]heptan-6-yl]propan-2-yl]-2-azabicyclo[2.2.2]octane
SMILESCCN1C[C@H]2CC(CC(C)N3CC4CCC3CC4)[C@@H]1C2
InChIInChI=1S/C18H32N2/c1-3-19-11-15-9-16(18(19)10-15)8-13(2)20-12-14-4-6-17(20)7-5-14/h13-18H,3-12H2,1-2H3/t13?,14?,15-,16?,17?,18-/m0/s1
InChIKeyZMUPGEMNLIAEGA-NVMZUBJZSA-N
XLogP3.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1S,4S)-2-ethyl-2-azabicyclo[2.2.1]heptan-6-yl]propan-2-yl]-2-azabicyclo[2.2.2]octane?
The IUPAC name of 2-[1-[(1S,4S)-2-ethyl-2-azabicyclo[2.2.1]heptan-6-yl]propan-2-yl]-2-azabicyclo[2.2.2]octane (CID 146639931) is 2-[1-[(1S,4S)-2-ethyl-2-azabicyclo[2.2.1]heptan-6-yl]propan-2-yl]-2-azabicyclo[2.2.2]octane.
What is the SMILES notation for 2-[1-[(1S,4S)-2-ethyl-2-azabicyclo[2.2.1]heptan-6-yl]propan-2-yl]-2-azabicyclo[2.2.2]octane?
The canonical SMILES for 2-[1-[(1S,4S)-2-ethyl-2-azabicyclo[2.2.1]heptan-6-yl]propan-2-yl]-2-azabicyclo[2.2.2]octane is CCN1C[C@H]2CC(CC(C)N3CC4CCC3CC4)[C@@H]1C2.
What is the InChIKey of 2-[1-[(1S,4S)-2-ethyl-2-azabicyclo[2.2.1]heptan-6-yl]propan-2-yl]-2-azabicyclo[2.2.2]octane?
The InChIKey is ZMUPGEMNLIAEGA-NVMZUBJZSA-N. The full InChI is InChI=1S/C18H32N2/c1-3-19-11-15-9-16(18(19)10-15)8-13(2)20-12-14-4-6-17(20)7-5-14/h13-18H,3-12H2,1-2H3/t13?,14?,15-,16?,17?,18-/m0/s1.
What are the key properties of 2-[1-[(1S,4S)-2-ethyl-2-azabicyclo[2.2.1]heptan-6-yl]propan-2-yl]-2-azabicyclo[2.2.2]octane?
2-[1-[(1S,4S)-2-ethyl-2-azabicyclo[2.2.1]heptan-6-yl]propan-2-yl]-2-azabicyclo[2.2.2]octane has a molecular weight of 276.47 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1S,4S)-2-ethyl-2-azabicyclo[2.2.1]heptan-6-yl]propan-2-yl]-2-azabicyclo[2.2.2]octane is sourced from PubChem (CID 146639931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).