4-[(2R)-1-(4-propan-2-yl-1,4-diazabicyclo[3.1.1]heptan-2-yl)propan-2-yl]-1,4-diazabicyclo[3.2.1]octane

C17H32N4 — CID 130220259

IUPAC4-[(2R)-1-(4-propan-2-yl-1,4-diazabicyclo[3.1.1]heptan-2-yl)propan-2-yl]-1,4-diazabicyclo[3.2.1]octane
SMILESCC(C)N1CC(C[C@@H](C)N2CCN3CCC2C3)N2CC1C2
InChIInChI=1S/C17H32N4/c1-13(2)21-12-16(19-10-17(21)11-19)8-14(3)20-7-6-18-5-4-15(20)9-18/h13-17H,4-12H2,1-3H3/t14-,15?,16?/m1/s1
InChIKeyBONPMGWKCPQWRU-QQFBHYJXSA-N
MW292.47 g/mol
LogP0.93
Rot. Bonds4

About 4-[(2R)-1-(4-propan-2-yl-1,4-diazabicyclo[3.1.1]heptan-2-yl)propan-2-yl]-1,4-diazabicyclo[3.2.1]octane

4-[(2R)-1-(4-propan-2-yl-1,4-diazabicyclo[3.1.1]heptan-2-yl)propan-2-yl]-1,4-diazabicyclo[3.2.1]octane (PubChem CID 130220259) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 4-[(2R)-1-(4-propan-2-yl-1,4-diazabicyclo[3.1.1]heptan-2-yl)propan-2-yl]-1,4-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name4-[(2R)-1-(4-propan-2-yl-1,4-diazabicyclo[3.1.1]heptan-2-yl)propan-2-yl]-1,4-diazabicyclo[3.2.1]octane
PubChem CID130220259
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name4-[(2R)-1-(4-propan-2-yl-1,4-diazabicyclo[3.1.1]heptan-2-yl)propan-2-yl]-1,4-diazabicyclo[3.2.1]octane
SMILESCC(C)N1CC(C[C@@H](C)N2CCN3CCC2C3)N2CC1C2
InChIInChI=1S/C17H32N4/c1-13(2)21-12-16(19-10-17(21)11-19)8-14(3)20-7-6-18-5-4-15(20)9-18/h13-17H,4-12H2,1-3H3/t14-,15?,16?/m1/s1
InChIKeyBONPMGWKCPQWRU-QQFBHYJXSA-N
XLogP0.93
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(2R)-1-(4-propan-2-yl-1,4-diazabicyclo[3.1.1]heptan-2-yl)propan-2-yl]-1,4-diazabicyclo[3.2.1]octane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-(4-propan-2-yl-1,4-diazabicyclo[3.1.1]heptan-2-yl)propan-2-yl]-1,4-diazabicyclo[3.2.1]octane?
The IUPAC name of 4-[(2R)-1-(4-propan-2-yl-1,4-diazabicyclo[3.1.1]heptan-2-yl)propan-2-yl]-1,4-diazabicyclo[3.2.1]octane (CID 130220259) is 4-[(2R)-1-(4-propan-2-yl-1,4-diazabicyclo[3.1.1]heptan-2-yl)propan-2-yl]-1,4-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 4-[(2R)-1-(4-propan-2-yl-1,4-diazabicyclo[3.1.1]heptan-2-yl)propan-2-yl]-1,4-diazabicyclo[3.2.1]octane?
The canonical SMILES for 4-[(2R)-1-(4-propan-2-yl-1,4-diazabicyclo[3.1.1]heptan-2-yl)propan-2-yl]-1,4-diazabicyclo[3.2.1]octane is CC(C)N1CC(C[C@@H](C)N2CCN3CCC2C3)N2CC1C2.
What is the InChIKey of 4-[(2R)-1-(4-propan-2-yl-1,4-diazabicyclo[3.1.1]heptan-2-yl)propan-2-yl]-1,4-diazabicyclo[3.2.1]octane?
The InChIKey is BONPMGWKCPQWRU-QQFBHYJXSA-N. The full InChI is InChI=1S/C17H32N4/c1-13(2)21-12-16(19-10-17(21)11-19)8-14(3)20-7-6-18-5-4-15(20)9-18/h13-17H,4-12H2,1-3H3/t14-,15?,16?/m1/s1.
What are the key properties of 4-[(2R)-1-(4-propan-2-yl-1,4-diazabicyclo[3.1.1]heptan-2-yl)propan-2-yl]-1,4-diazabicyclo[3.2.1]octane?
4-[(2R)-1-(4-propan-2-yl-1,4-diazabicyclo[3.1.1]heptan-2-yl)propan-2-yl]-1,4-diazabicyclo[3.2.1]octane has a molecular weight of 292.47 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-(4-propan-2-yl-1,4-diazabicyclo[3.1.1]heptan-2-yl)propan-2-yl]-1,4-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 130220259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).