6-ethyl-2-[2-(3-methyl-6-azabicyclo[3.1.1]heptan-6-yl)propyl]-6-azabicyclo[3.1.1]heptane

C18H32N2 — CID 176940134

IUPAC6-ethyl-2-[2-(3-methyl-6-azabicyclo[3.1.1]heptan-6-yl)propyl]-6-azabicyclo[3.1.1]heptane
SMILESCCN1C2CCC(CC(C)N3C4CC(C)CC3C4)C1C2
InChIInChI=1S/C18H32N2/c1-4-19-15-6-5-14(18(19)11-15)9-13(3)20-16-7-12(2)8-17(20)10-16/h12-18H,4-11H2,1-3H3
InChIKeyYCDRYLAWMYLLOT-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.51
Rot. Bonds4

About 6-ethyl-2-[2-(3-methyl-6-azabicyclo[3.1.1]heptan-6-yl)propyl]-6-azabicyclo[3.1.1]heptane

6-ethyl-2-[2-(3-methyl-6-azabicyclo[3.1.1]heptan-6-yl)propyl]-6-azabicyclo[3.1.1]heptane (PubChem CID 176940134) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 6-ethyl-2-[2-(3-methyl-6-azabicyclo[3.1.1]heptan-6-yl)propyl]-6-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name6-ethyl-2-[2-(3-methyl-6-azabicyclo[3.1.1]heptan-6-yl)propyl]-6-azabicyclo[3.1.1]heptane
PubChem CID176940134
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name6-ethyl-2-[2-(3-methyl-6-azabicyclo[3.1.1]heptan-6-yl)propyl]-6-azabicyclo[3.1.1]heptane
SMILESCCN1C2CCC(CC(C)N3C4CC(C)CC3C4)C1C2
InChIInChI=1S/C18H32N2/c1-4-19-15-6-5-14(18(19)11-15)9-13(3)20-16-7-12(2)8-17(20)10-16/h12-18H,4-11H2,1-3H3
InChIKeyYCDRYLAWMYLLOT-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-ethyl-2-[2-(3-methyl-6-azabicyclo[3.1.1]heptan-6-yl)propyl]-6-azabicyclo[3.1.1]heptane with MolForge

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Related Compounds

(1R,5S)-8-ethyl-3-methyl-8-azabicyclo[3.2.1]octane
CID 121337296
3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane
CID 147755667
ethane;3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane
CID 166462217
3-methyl-8-[(1-propan-2-ylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane
CID 176984317
7-ethyl-N-methyl-7-azabicyclo[2.2.1]heptan-2-amine
CID 171831735
(E)-4-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)but-2-ene-1-thiol
CID 164649461
2-ethyl-3-methyl-2-azabicyclo[2.2.1]heptane
CID 90937023
4-(8-ethyl-8-azabicyclo[3.2.1]octan-3-yl)morpholine
CID 71229178
8-butan-2-yl-3-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 71286586
2-ethyl-3,5-dimethyl-2-azabicyclo[2.2.2]octane
CID 178085129
3,8-dimethyl-6-propyl-8-azabicyclo[3.2.1]octane
CID 146239018
7-methyl-9-azatricyclo[3.3.1.03,9]nonane
CID 59882553

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-[2-(3-methyl-6-azabicyclo[3.1.1]heptan-6-yl)propyl]-6-azabicyclo[3.1.1]heptane?
The IUPAC name of 6-ethyl-2-[2-(3-methyl-6-azabicyclo[3.1.1]heptan-6-yl)propyl]-6-azabicyclo[3.1.1]heptane (CID 176940134) is 6-ethyl-2-[2-(3-methyl-6-azabicyclo[3.1.1]heptan-6-yl)propyl]-6-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 6-ethyl-2-[2-(3-methyl-6-azabicyclo[3.1.1]heptan-6-yl)propyl]-6-azabicyclo[3.1.1]heptane?
The canonical SMILES for 6-ethyl-2-[2-(3-methyl-6-azabicyclo[3.1.1]heptan-6-yl)propyl]-6-azabicyclo[3.1.1]heptane is CCN1C2CCC(CC(C)N3C4CC(C)CC3C4)C1C2.
What is the InChIKey of 6-ethyl-2-[2-(3-methyl-6-azabicyclo[3.1.1]heptan-6-yl)propyl]-6-azabicyclo[3.1.1]heptane?
The InChIKey is YCDRYLAWMYLLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-4-19-15-6-5-14(18(19)11-15)9-13(3)20-16-7-12(2)8-17(20)10-16/h12-18H,4-11H2,1-3H3.
What are the key properties of 6-ethyl-2-[2-(3-methyl-6-azabicyclo[3.1.1]heptan-6-yl)propyl]-6-azabicyclo[3.1.1]heptane?
6-ethyl-2-[2-(3-methyl-6-azabicyclo[3.1.1]heptan-6-yl)propyl]-6-azabicyclo[3.1.1]heptane has a molecular weight of 276.47 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-[2-(3-methyl-6-azabicyclo[3.1.1]heptan-6-yl)propyl]-6-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 176940134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).