(1R,5R)-3-propan-2-yl-3,6-diazabicyclo[3.2.1]octane

C9H18N2 — CID 58438440

IUPAC(1R,5R)-3-propan-2-yl-3,6-diazabicyclo[3.2.1]octane
SMILESCC(C)N1C[C@H]2CN[C@H](C2)C1
InChIInChI=1S/C9H18N2/c1-7(2)11-5-8-3-9(6-11)10-4-8/h7-10H,3-6H2,1-2H3/t8-,9-/m1/s1
InChIKeyQMVOVCJXEYILDJ-RKDXNWHRSA-N
MW154.26 g/mol
LogP0.69
Rot. Bonds1

About (1R,5R)-3-propan-2-yl-3,6-diazabicyclo[3.2.1]octane

(1R,5R)-3-propan-2-yl-3,6-diazabicyclo[3.2.1]octane (PubChem CID 58438440) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (1R,5R)-3-propan-2-yl-3,6-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5R)-3-propan-2-yl-3,6-diazabicyclo[3.2.1]octane
PubChem CID58438440
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(1R,5R)-3-propan-2-yl-3,6-diazabicyclo[3.2.1]octane
SMILESCC(C)N1C[C@H]2CN[C@H](C2)C1
InChIInChI=1S/C9H18N2/c1-7(2)11-5-8-3-9(6-11)10-4-8/h7-10H,3-6H2,1-2H3/t8-,9-/m1/s1
InChIKeyQMVOVCJXEYILDJ-RKDXNWHRSA-N
XLogP0.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5R)-3-propan-2-yl-3,6-diazabicyclo[3.2.1]octane?
The IUPAC name of (1R,5R)-3-propan-2-yl-3,6-diazabicyclo[3.2.1]octane (CID 58438440) is (1R,5R)-3-propan-2-yl-3,6-diazabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5R)-3-propan-2-yl-3,6-diazabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5R)-3-propan-2-yl-3,6-diazabicyclo[3.2.1]octane is CC(C)N1C[C@H]2CN[C@H](C2)C1.
What is the InChIKey of (1R,5R)-3-propan-2-yl-3,6-diazabicyclo[3.2.1]octane?
The InChIKey is QMVOVCJXEYILDJ-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H18N2/c1-7(2)11-5-8-3-9(6-11)10-4-8/h7-10H,3-6H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (1R,5R)-3-propan-2-yl-3,6-diazabicyclo[3.2.1]octane?
(1R,5R)-3-propan-2-yl-3,6-diazabicyclo[3.2.1]octane has a molecular weight of 154.26 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-3-propan-2-yl-3,6-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 58438440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).