(2R)-2,3-di(propan-2-yl)-3-azabicyclo[3.2.0]heptane

C12H23N — CID 166831910

IUPAC(2R)-2,3-di(propan-2-yl)-3-azabicyclo[3.2.0]heptane
SMILESCC(C)[C@@H]1C2CCC2CN1C(C)C
InChIInChI=1S/C12H23N/c1-8(2)12-11-6-5-10(11)7-13(12)9(3)4/h8-12H,5-7H2,1-4H3/t10?,11?,12-/m1/s1
InChIKeyWONFUFZMXBXSHG-HTAVTVPLSA-N
MW181.32 g/mol
LogP2.76
Rot. Bonds2

About (2R)-2,3-di(propan-2-yl)-3-azabicyclo[3.2.0]heptane

(2R)-2,3-di(propan-2-yl)-3-azabicyclo[3.2.0]heptane (PubChem CID 166831910) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (2R)-2,3-di(propan-2-yl)-3-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name(2R)-2,3-di(propan-2-yl)-3-azabicyclo[3.2.0]heptane
PubChem CID166831910
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(2R)-2,3-di(propan-2-yl)-3-azabicyclo[3.2.0]heptane
SMILESCC(C)[C@@H]1C2CCC2CN1C(C)C
InChIInChI=1S/C12H23N/c1-8(2)12-11-6-5-10(11)7-13(12)9(3)4/h8-12H,5-7H2,1-4H3/t10?,11?,12-/m1/s1
InChIKeyWONFUFZMXBXSHG-HTAVTVPLSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,3-di(propan-2-yl)-3-azabicyclo[3.2.0]heptane?
The IUPAC name of (2R)-2,3-di(propan-2-yl)-3-azabicyclo[3.2.0]heptane (CID 166831910) is (2R)-2,3-di(propan-2-yl)-3-azabicyclo[3.2.0]heptane.
What is the SMILES notation for (2R)-2,3-di(propan-2-yl)-3-azabicyclo[3.2.0]heptane?
The canonical SMILES for (2R)-2,3-di(propan-2-yl)-3-azabicyclo[3.2.0]heptane is CC(C)[C@@H]1C2CCC2CN1C(C)C.
What is the InChIKey of (2R)-2,3-di(propan-2-yl)-3-azabicyclo[3.2.0]heptane?
The InChIKey is WONFUFZMXBXSHG-HTAVTVPLSA-N. The full InChI is InChI=1S/C12H23N/c1-8(2)12-11-6-5-10(11)7-13(12)9(3)4/h8-12H,5-7H2,1-4H3/t10?,11?,12-/m1/s1.
What are the key properties of (2R)-2,3-di(propan-2-yl)-3-azabicyclo[3.2.0]heptane?
(2R)-2,3-di(propan-2-yl)-3-azabicyclo[3.2.0]heptane has a molecular weight of 181.32 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3-di(propan-2-yl)-3-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 166831910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).