2-azabicyclo[2.2.1]heptane;2-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane

C18H33N3 — CID 160900743

IUPAC2-azabicyclo[2.2.1]heptane;2-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane
SMILESC1CC2CC(C1)N2.C1CC2CC(C2)N1.C1CC2CC1CN2
InChIInChI=1S/3C6H11N/c1-2-7-6-3-5(1)4-6;1-2-6-3-5(1)4-7-6;1-2-5-4-6(3-1)7-5/h3*5-7H,1-4H2
InChIKeySPLUAVZBVLBPPK-UHFFFAOYSA-N
MW291.48 g/mol
LogP2.42
Rot. Bonds

About 2-azabicyclo[2.2.1]heptane;2-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane

2-azabicyclo[2.2.1]heptane;2-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane (PubChem CID 160900743) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptane;2-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]heptane;2-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane
PubChem CID160900743
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name2-azabicyclo[2.2.1]heptane;2-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane
SMILESC1CC2CC(C1)N2.C1CC2CC(C2)N1.C1CC2CC1CN2
InChIInChI=1S/3C6H11N/c1-2-7-6-3-5(1)4-6;1-2-6-3-5(1)4-7-6;1-2-5-4-6(3-1)7-5/h3*5-7H,1-4H2
InChIKeySPLUAVZBVLBPPK-UHFFFAOYSA-N
XLogP2.42
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-Azabicyclo[3.1.1]heptane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane
CID 67017433
Tris(2-methylpropane);2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.0]hexane;2-propan-2-yl-2-azabicyclo[2.2.2]octane
CID 161091772

Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.1]heptane;2-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane?
The IUPAC name of 2-azabicyclo[2.2.1]heptane;2-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane (CID 160900743) is 2-azabicyclo[2.2.1]heptane;2-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 2-azabicyclo[2.2.1]heptane;2-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane?
The canonical SMILES for 2-azabicyclo[2.2.1]heptane;2-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane is C1CC2CC(C1)N2.C1CC2CC(C2)N1.C1CC2CC1CN2.
What is the InChIKey of 2-azabicyclo[2.2.1]heptane;2-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane?
The InChIKey is SPLUAVZBVLBPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H11N/c1-2-7-6-3-5(1)4-6;1-2-6-3-5(1)4-7-6;1-2-5-4-6(3-1)7-5/h3*5-7H,1-4H2.
What are the key properties of 2-azabicyclo[2.2.1]heptane;2-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane?
2-azabicyclo[2.2.1]heptane;2-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane has a molecular weight of 291.48 g/mol, XLogP of 2.42, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]heptane;2-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 160900743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).