2,3-di(propan-2-yl)-1-azabicyclo[2.2.1]heptane

C12H23N — CID 18717937

IUPAC2,3-di(propan-2-yl)-1-azabicyclo[2.2.1]heptane
SMILESCC(C)C1C2CCN(C2)C1C(C)C
InChIInChI=1S/C12H23N/c1-8(2)11-10-5-6-13(7-10)12(11)9(3)4/h8-12H,5-7H2,1-4H3
InChIKeyGQTDBZXDVIPWJI-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.62
Rot. Bonds2

About 2,3-di(propan-2-yl)-1-azabicyclo[2.2.1]heptane

2,3-di(propan-2-yl)-1-azabicyclo[2.2.1]heptane (PubChem CID 18717937) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 2,3-di(propan-2-yl)-1-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,3-di(propan-2-yl)-1-azabicyclo[2.2.1]heptane
PubChem CID18717937
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name2,3-di(propan-2-yl)-1-azabicyclo[2.2.1]heptane
SMILESCC(C)C1C2CCN(C2)C1C(C)C
InChIInChI=1S/C12H23N/c1-8(2)11-10-5-6-13(7-10)12(11)9(3)4/h8-12H,5-7H2,1-4H3
InChIKeyGQTDBZXDVIPWJI-UHFFFAOYSA-N
XLogP2.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-di(propan-2-yl)-1-azabicyclo[2.2.1]heptane?
The IUPAC name of 2,3-di(propan-2-yl)-1-azabicyclo[2.2.1]heptane (CID 18717937) is 2,3-di(propan-2-yl)-1-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2,3-di(propan-2-yl)-1-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2,3-di(propan-2-yl)-1-azabicyclo[2.2.1]heptane is CC(C)C1C2CCN(C2)C1C(C)C.
What is the InChIKey of 2,3-di(propan-2-yl)-1-azabicyclo[2.2.1]heptane?
The InChIKey is GQTDBZXDVIPWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-8(2)11-10-5-6-13(7-10)12(11)9(3)4/h8-12H,5-7H2,1-4H3.
What are the key properties of 2,3-di(propan-2-yl)-1-azabicyclo[2.2.1]heptane?
2,3-di(propan-2-yl)-1-azabicyclo[2.2.1]heptane has a molecular weight of 181.32 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(propan-2-yl)-1-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 18717937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).