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

C24H46N4 — CID 135176148

IUPAC7-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
SMILESCC(C)N1CC2C1CCCN2C(C)CCC(C)N1CCCC2C1CN2C(C)C
InChIInChI=1S/C24H46N4/c1-17(2)27-15-23-21(27)9-7-13-25(23)19(5)11-12-20(6)26-14-8-10-22-24(26)16-28(22)18(3)4/h17-24H,7-16H2,1-6H3
InChIKeyZSOPAULIVTXMKU-UHFFFAOYSA-N
MW390.66 g/mol
LogP3.66
Rot. Bonds7

About 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

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 (PubChem CID 135176148) has the molecular formula C24H46N4 and a molecular weight of 390.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID135176148
Molecular FormulaC24H46N4
Molecular Weight390.66 g/mol
Exact Mass390.37
IUPAC Name7-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
SMILESCC(C)N1CC2C1CCCN2C(C)CCC(C)N1CCCC2C1CN2C(C)C
InChIInChI=1S/C24H46N4/c1-17(2)27-15-23-21(27)9-7-13-25(23)19(5)11-12-20(6)26-14-8-10-22-24(26)16-28(22)18(3)4/h17-24H,7-16H2,1-6H3
InChIKeyZSOPAULIVTXMKU-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

2-propan-2-yl-7-sulfanyl-2,7-diazabicyclo[4.2.0]octane
CID 146439857
1-tert-butyl-5-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine
CID 164706311
(1-propan-2-ylpyrrolidin-2-yl)methanamine
CID 2762717
1-butan-2-yl-2-cyclopropylpyrrolidine
CID 131083099
[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;hydrochloride
CID 156593878
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
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-tert-butylbutan-1-amine
CID 65322192
benzyl 2-(2-propan-2-yl-2,7-diazabicyclo[4.2.0]octan-7-yl)propanoate
CID 146289764
2-(1-propan-2-ylpyrrolidin-2-yl)cyclopentan-1-one
CID 79544025
2-methyl-5-[(2R)-2-(2-methylpropanoyl)pyrrolidin-1-yl]-1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]hexan-1-one
CID 155410208
2-ethyl-5-propan-2-yl-2,5-diazabicyclo[2.2.0]hexane
CID 170634147
8-propan-2-yl-8-azabicyclo[5.2.0]nonane
CID 166687611

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)N1CC2C1CCCN2C(C)CCC(C)N1CCCC2C1CN2C(C)C.
What is the InChIKey of 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?
The InChIKey is ZSOPAULIVTXMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N4/c1-17(2)27-15-23-21(27)9-7-13-25(23)19(5)11-12-20(6)26-14-8-10-22-24(26)16-28(22)18(3)4/h17-24H,7-16H2,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 390.66 g/mol, XLogP of 3.66, 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-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 is sourced from PubChem (CID 135176148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).