2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;2,5-diazabicyclo[2.2.1]heptane

C18H34N4 — CID 160827301

IUPAC2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;2,5-diazabicyclo[2.2.1]heptane
SMILESC1CC2CC1CN2.C1CC2CCC1CN2.C1NC2CNC1C2
InChIInChI=1S/C7H13N.C6H11N.C5H10N2/c1-3-7-4-2-6(1)5-8-7;1-2-6-3-5(1)4-7-6;1-4-2-6-5(1)3-7-4/h6-8H,1-5H2;5-7H,1-4H2;4-7H,1-3H2
InChIKeySGISSZBFKNTGHW-UHFFFAOYSA-N
MW306.50 g/mol
LogP1.23
Rot. Bonds

About 2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;2,5-diazabicyclo[2.2.1]heptane

2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;2,5-diazabicyclo[2.2.1]heptane (PubChem CID 160827301) has the molecular formula C18H34N4 and a molecular weight of 306.50 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;2,5-diazabicyclo[2.2.1]heptane
PubChem CID160827301
Molecular FormulaC18H34N4
Molecular Weight306.50 g/mol
Exact Mass306.28
IUPAC Name2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;2,5-diazabicyclo[2.2.1]heptane
SMILESC1CC2CC1CN2.C1CC2CCC1CN2.C1NC2CNC1C2
InChIInChI=1S/C7H13N.C6H11N.C5H10N2/c1-3-7-4-2-6(1)5-8-7;1-2-6-3-5(1)4-7-6;1-4-2-6-5(1)3-7-4/h6-8H,1-5H2;5-7H,1-4H2;4-7H,1-3H2
InChIKeySGISSZBFKNTGHW-UHFFFAOYSA-N
XLogP1.23
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-Azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;2,5-diazabicyclo[2.2.1]heptane;ethane
CID 157685174
1-Methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
CID 158962903
2-Azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;ethane
CID 159110091
Methane;1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
CID 159711845
2-Methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
CID 159789229
4-Methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
CID 159933527
Methane;4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
CID 160043439
Methane;2-methyl-2-azabicyclo[2.2.1]heptane;1-methylpiperazine;bis(1-methylpiperidine);1-methylpyrrolidine
CID 160109137
2-Methyl-2-azabicyclo[2.2.1]heptane;1-methylpiperazine;bis(1-methylpiperidine);1-methylpyrrolidine
CID 160384806
Methane;1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;molecular hydrogen
CID 160775758
Methane;1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
CID 161980955
1-[[1-(7-Azabicyclo[2.2.1]heptan-1-ylmethyl)-1-azoniabicyclo[2.2.1]heptan-3-yl]methyl]-3-methyl-1-azoniabicyclo[2.2.2]octane
CID 170256041

Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;2,5-diazabicyclo[2.2.1]heptane (CID 160827301) is 2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;2,5-diazabicyclo[2.2.1]heptane is C1CC2CC1CN2.C1CC2CCC1CN2.C1NC2CNC1C2.
What is the InChIKey of 2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is SGISSZBFKNTGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.C6H11N.C5H10N2/c1-3-7-4-2-6(1)5-8-7;1-2-6-3-5(1)4-7-6;1-4-2-6-5(1)3-7-4/h6-8H,1-5H2;5-7H,1-4H2;4-7H,1-3H2.
What are the key properties of 2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;2,5-diazabicyclo[2.2.1]heptane?
2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 306.50 g/mol, XLogP of 1.23, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 160827301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).