7-propan-2-yl-3-[5-(7-propan-2-yl-3,7-diazabicyclo[4.2.0]octan-3-yl)hexan-2-yl]-3,7-diazabicyclo[4.2.0]octane

C24H46N4 — CID 170230574

IUPAC7-propan-2-yl-3-[5-(7-propan-2-yl-3,7-diazabicyclo[4.2.0]octan-3-yl)hexan-2-yl]-3,7-diazabicyclo[4.2.0]octane
SMILESCC(CCC(C)N1CCC2C(C1)CN2C(C)C)N1CCC2C(C1)CN2C(C)C
InChIInChI=1S/C24H46N4/c1-17(2)27-15-21-13-25(11-9-23(21)27)19(5)7-8-20(6)26-12-10-24-22(14-26)16-28(24)18(3)4/h17-24H,7-16H2,1-6H3
InChIKeyAEAQMOXXIQQEPV-UHFFFAOYSA-N
MW390.66 g/mol
LogP3.37
Rot. Bonds7

About 7-propan-2-yl-3-[5-(7-propan-2-yl-3,7-diazabicyclo[4.2.0]octan-3-yl)hexan-2-yl]-3,7-diazabicyclo[4.2.0]octane

7-propan-2-yl-3-[5-(7-propan-2-yl-3,7-diazabicyclo[4.2.0]octan-3-yl)hexan-2-yl]-3,7-diazabicyclo[4.2.0]octane (PubChem CID 170230574) has the molecular formula C24H46N4 and a molecular weight of 390.66 g/mol. Its IUPAC name is 7-propan-2-yl-3-[5-(7-propan-2-yl-3,7-diazabicyclo[4.2.0]octan-3-yl)hexan-2-yl]-3,7-diazabicyclo[4.2.0]octane.

Molecular Properties

Compound Name7-propan-2-yl-3-[5-(7-propan-2-yl-3,7-diazabicyclo[4.2.0]octan-3-yl)hexan-2-yl]-3,7-diazabicyclo[4.2.0]octane
PubChem CID170230574
Molecular FormulaC24H46N4
Molecular Weight390.66 g/mol
Exact Mass390.37
IUPAC Name7-propan-2-yl-3-[5-(7-propan-2-yl-3,7-diazabicyclo[4.2.0]octan-3-yl)hexan-2-yl]-3,7-diazabicyclo[4.2.0]octane
SMILESCC(CCC(C)N1CCC2C(C1)CN2C(C)C)N1CCC2C(C1)CN2C(C)C
InChIInChI=1S/C24H46N4/c1-17(2)27-15-21-13-25(11-9-23(21)27)19(5)7-8-20(6)26-12-10-24-22(14-26)16-28(24)18(3)4/h17-24H,7-16H2,1-6H3
InChIKeyAEAQMOXXIQQEPV-UHFFFAOYSA-N
XLogP3.37
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.66
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-propan-2-yl-3-[5-(7-propan-2-yl-3,7-diazabicyclo[4.2.0]octan-3-yl)hexan-2-yl]-3,7-diazabicyclo[4.2.0]octane with MolForge

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Related Compounds

8-propan-2-yl-8-azabicyclo[5.2.0]nonane
CID 166687611
7-propan-2-yl-2-[5-(7-propan-2-yl-2,7-diazabicyclo[4.2.0]octan-2-yl)hexan-2-yl]-2,7-diazabicyclo[4.2.0]octane
CID 135176148
(1S,6S)-7-propan-2-yl-3,7-diazabicyclo[4.2.0]octane
CID 164821497
(3aR,7aS)-1-methyl-5-propan-2-yl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine
CID 58315229
(6S)-3-propan-2-yl-3-azabicyclo[4.2.0]octane
CID 137467561
2,6-di(propan-2-yl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;2,7-di(propan-2-yl)-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine
CID 164996340
(2R,6R)-2,6-dimethyl-1-[5-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]hexan-2-yl]-4-propan-2-ylpiperazine
CID 166707730
3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-propylbutan-1-amine
CID 81206322
1,4-di(propan-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;bis(1,6-di(propan-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine);bis(2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine);1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2,6-di(propan-2-yl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;2,7-di(propan-2-yl)-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;bis(2,6-di(propan-2-yl)-2,6-diazabicyclo[3.2.0]heptane);bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.0]heptane);3,7-di(propan-2-yl)-3,7-diazabicyclo[4.2.0]octane;propane;5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;3-propan-2-yl-3,7-diazabicyclo[4.2.0]octane
CID 165033839
(1R,6R)-3-propan-2-yl-3-azabicyclo[4.1.0]heptane
CID 176597082
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pentanoic acid
CID 62213634
4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-(2-methylpropyl)pentan-1-amine
CID 81194990

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-3-[5-(7-propan-2-yl-3,7-diazabicyclo[4.2.0]octan-3-yl)hexan-2-yl]-3,7-diazabicyclo[4.2.0]octane?
The IUPAC name of 7-propan-2-yl-3-[5-(7-propan-2-yl-3,7-diazabicyclo[4.2.0]octan-3-yl)hexan-2-yl]-3,7-diazabicyclo[4.2.0]octane (CID 170230574) is 7-propan-2-yl-3-[5-(7-propan-2-yl-3,7-diazabicyclo[4.2.0]octan-3-yl)hexan-2-yl]-3,7-diazabicyclo[4.2.0]octane.
What is the SMILES notation for 7-propan-2-yl-3-[5-(7-propan-2-yl-3,7-diazabicyclo[4.2.0]octan-3-yl)hexan-2-yl]-3,7-diazabicyclo[4.2.0]octane?
The canonical SMILES for 7-propan-2-yl-3-[5-(7-propan-2-yl-3,7-diazabicyclo[4.2.0]octan-3-yl)hexan-2-yl]-3,7-diazabicyclo[4.2.0]octane is CC(CCC(C)N1CCC2C(C1)CN2C(C)C)N1CCC2C(C1)CN2C(C)C.
What is the InChIKey of 7-propan-2-yl-3-[5-(7-propan-2-yl-3,7-diazabicyclo[4.2.0]octan-3-yl)hexan-2-yl]-3,7-diazabicyclo[4.2.0]octane?
The InChIKey is AEAQMOXXIQQEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N4/c1-17(2)27-15-21-13-25(11-9-23(21)27)19(5)7-8-20(6)26-12-10-24-22(14-26)16-28(24)18(3)4/h17-24H,7-16H2,1-6H3.
What are the key properties of 7-propan-2-yl-3-[5-(7-propan-2-yl-3,7-diazabicyclo[4.2.0]octan-3-yl)hexan-2-yl]-3,7-diazabicyclo[4.2.0]octane?
7-propan-2-yl-3-[5-(7-propan-2-yl-3,7-diazabicyclo[4.2.0]octan-3-yl)hexan-2-yl]-3,7-diazabicyclo[4.2.0]octane has a molecular weight of 390.66 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-3-[5-(7-propan-2-yl-3,7-diazabicyclo[4.2.0]octan-3-yl)hexan-2-yl]-3,7-diazabicyclo[4.2.0]octane is sourced from PubChem (CID 170230574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).