6-[2-(1-azabicyclo[2.2.1]heptan-3-yl)propyl]-3-propan-2-yl-1-azabicyclo[3.2.1]octane

C19H34N2 — CID 155397276

IUPAC6-[2-(1-azabicyclo[2.2.1]heptan-3-yl)propyl]-3-propan-2-yl-1-azabicyclo[3.2.1]octane
SMILESCC(C)C1CC2CN(C1)CC2CC(C)C1CN2CCC1C2
InChIInChI=1S/C19H34N2/c1-13(2)16-7-18-11-21(9-16)10-17(18)6-14(3)19-12-20-5-4-15(19)8-20/h13-19H,4-12H2,1-3H3
InChIKeyQMPLCLXJGQEGGX-UHFFFAOYSA-N
MW290.49 g/mol
LogP3.19
Rot. Bonds4

About 6-[2-(1-azabicyclo[2.2.1]heptan-3-yl)propyl]-3-propan-2-yl-1-azabicyclo[3.2.1]octane

6-[2-(1-azabicyclo[2.2.1]heptan-3-yl)propyl]-3-propan-2-yl-1-azabicyclo[3.2.1]octane (PubChem CID 155397276) has the molecular formula C19H34N2 and a molecular weight of 290.49 g/mol. Its IUPAC name is 6-[2-(1-azabicyclo[2.2.1]heptan-3-yl)propyl]-3-propan-2-yl-1-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name6-[2-(1-azabicyclo[2.2.1]heptan-3-yl)propyl]-3-propan-2-yl-1-azabicyclo[3.2.1]octane
PubChem CID155397276
Molecular FormulaC19H34N2
Molecular Weight290.49 g/mol
Exact Mass290.27
IUPAC Name6-[2-(1-azabicyclo[2.2.1]heptan-3-yl)propyl]-3-propan-2-yl-1-azabicyclo[3.2.1]octane
SMILESCC(C)C1CC2CN(C1)CC2CC(C)C1CN2CCC1C2
InChIInChI=1S/C19H34N2/c1-13(2)16-7-18-11-21(9-16)10-17(18)6-14(3)19-12-20-5-4-15(19)8-20/h13-19H,4-12H2,1-3H3
InChIKeyQMPLCLXJGQEGGX-UHFFFAOYSA-N
XLogP3.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.49
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-azabicyclo[2.2.1]heptan-3-yl)propyl]-3-propan-2-yl-1-azabicyclo[3.2.1]octane?
The IUPAC name of 6-[2-(1-azabicyclo[2.2.1]heptan-3-yl)propyl]-3-propan-2-yl-1-azabicyclo[3.2.1]octane (CID 155397276) is 6-[2-(1-azabicyclo[2.2.1]heptan-3-yl)propyl]-3-propan-2-yl-1-azabicyclo[3.2.1]octane.
What is the SMILES notation for 6-[2-(1-azabicyclo[2.2.1]heptan-3-yl)propyl]-3-propan-2-yl-1-azabicyclo[3.2.1]octane?
The canonical SMILES for 6-[2-(1-azabicyclo[2.2.1]heptan-3-yl)propyl]-3-propan-2-yl-1-azabicyclo[3.2.1]octane is CC(C)C1CC2CN(C1)CC2CC(C)C1CN2CCC1C2.
What is the InChIKey of 6-[2-(1-azabicyclo[2.2.1]heptan-3-yl)propyl]-3-propan-2-yl-1-azabicyclo[3.2.1]octane?
The InChIKey is QMPLCLXJGQEGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-13(2)16-7-18-11-21(9-16)10-17(18)6-14(3)19-12-20-5-4-15(19)8-20/h13-19H,4-12H2,1-3H3.
What are the key properties of 6-[2-(1-azabicyclo[2.2.1]heptan-3-yl)propyl]-3-propan-2-yl-1-azabicyclo[3.2.1]octane?
6-[2-(1-azabicyclo[2.2.1]heptan-3-yl)propyl]-3-propan-2-yl-1-azabicyclo[3.2.1]octane has a molecular weight of 290.49 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-azabicyclo[2.2.1]heptan-3-yl)propyl]-3-propan-2-yl-1-azabicyclo[3.2.1]octane is sourced from PubChem (CID 155397276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).