(4R)-4-ethyl-2-propan-2-yl-2,3-diazabicyclo[3.1.1]heptane

C10H20N2 — CID 178104352

IUPAC(4R)-4-ethyl-2-propan-2-yl-2,3-diazabicyclo[3.1.1]heptane
SMILESCC[C@H]1NN(C(C)C)C2CC1C2
InChIInChI=1S/C10H20N2/c1-4-10-8-5-9(6-8)12(11-10)7(2)3/h7-11H,4-6H2,1-3H3/t8?,9?,10-/m1/s1
InChIKeyCKAGSOQJOUBQHF-UDNWOFFPSA-N
MW168.28 g/mol
LogP1.77
Rot. Bonds2

About (4R)-4-ethyl-2-propan-2-yl-2,3-diazabicyclo[3.1.1]heptane

(4R)-4-ethyl-2-propan-2-yl-2,3-diazabicyclo[3.1.1]heptane (PubChem CID 178104352) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (4R)-4-ethyl-2-propan-2-yl-2,3-diazabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name(4R)-4-ethyl-2-propan-2-yl-2,3-diazabicyclo[3.1.1]heptane
PubChem CID178104352
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(4R)-4-ethyl-2-propan-2-yl-2,3-diazabicyclo[3.1.1]heptane
SMILESCC[C@H]1NN(C(C)C)C2CC1C2
InChIInChI=1S/C10H20N2/c1-4-10-8-5-9(6-8)12(11-10)7(2)3/h7-11H,4-6H2,1-3H3/t8?,9?,10-/m1/s1
InChIKeyCKAGSOQJOUBQHF-UDNWOFFPSA-N
XLogP1.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-ethyl-2-propan-2-yl-2,3-diazabicyclo[3.1.1]heptane?
The IUPAC name of (4R)-4-ethyl-2-propan-2-yl-2,3-diazabicyclo[3.1.1]heptane (CID 178104352) is (4R)-4-ethyl-2-propan-2-yl-2,3-diazabicyclo[3.1.1]heptane.
What is the SMILES notation for (4R)-4-ethyl-2-propan-2-yl-2,3-diazabicyclo[3.1.1]heptane?
The canonical SMILES for (4R)-4-ethyl-2-propan-2-yl-2,3-diazabicyclo[3.1.1]heptane is CC[C@H]1NN(C(C)C)C2CC1C2.
What is the InChIKey of (4R)-4-ethyl-2-propan-2-yl-2,3-diazabicyclo[3.1.1]heptane?
The InChIKey is CKAGSOQJOUBQHF-UDNWOFFPSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-10-8-5-9(6-8)12(11-10)7(2)3/h7-11H,4-6H2,1-3H3/t8?,9?,10-/m1/s1.
What are the key properties of (4R)-4-ethyl-2-propan-2-yl-2,3-diazabicyclo[3.1.1]heptane?
(4R)-4-ethyl-2-propan-2-yl-2,3-diazabicyclo[3.1.1]heptane has a molecular weight of 168.28 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethyl-2-propan-2-yl-2,3-diazabicyclo[3.1.1]heptane is sourced from PubChem (CID 178104352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).