2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane

C17H33N3 — CID 160580287

IUPAC2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)N1CC2CC1CN2.CC(C)N1CC2CCC1C2
InChIInChI=1S/C9H17N.C8H16N2/c1-7(2)10-6-8-3-4-9(10)5-8;1-6(2)10-5-7-3-8(10)4-9-7/h7-9H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3
InChIKeyRBRPTKGBNUGPRW-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.32
Rot. Bonds2

About 2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane

2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 160580287) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID160580287
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)N1CC2CC1CN2.CC(C)N1CC2CCC1C2
InChIInChI=1S/C9H17N.C8H16N2/c1-7(2)10-6-8-3-4-9(10)5-8;1-6(2)10-5-7-3-8(10)4-9-7/h7-9H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3
InChIKeyRBRPTKGBNUGPRW-UHFFFAOYSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane (CID 160580287) is 2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane is CC(C)N1CC2CC1CN2.CC(C)N1CC2CCC1C2.
What is the InChIKey of 2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is RBRPTKGBNUGPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C8H16N2/c1-7(2)10-6-8-3-4-9(10)5-8;1-6(2)10-5-7-3-8(10)4-9-7/h7-9H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 279.47 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 160580287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).