3-propan-2-yl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-8-azabicyclo[3.2.1]octane

C24H45N3 — CID 138722435

IUPAC3-propan-2-yl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-8-azabicyclo[3.2.1]octane
SMILESCC(C)C1CC2CCC(C1)N2C(C)CCC(C)N1CC2CC1CN2C(C)C
InChIInChI=1S/C24H45N3/c1-16(2)20-11-21-9-10-22(12-20)27(21)19(6)8-7-18(5)26-15-23-13-24(26)14-25(23)17(3)4/h16-24H,7-15H2,1-6H3
InChIKeyJPRAWRAWLVPMQC-UHFFFAOYSA-N
MW375.65 g/mol
LogP4.61
Rot. Bonds7

About 3-propan-2-yl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-8-azabicyclo[3.2.1]octane

3-propan-2-yl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-8-azabicyclo[3.2.1]octane (PubChem CID 138722435) has the molecular formula C24H45N3 and a molecular weight of 375.65 g/mol. Its IUPAC name is 3-propan-2-yl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-propan-2-yl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-8-azabicyclo[3.2.1]octane
PubChem CID138722435
Molecular FormulaC24H45N3
Molecular Weight375.65 g/mol
Exact Mass375.36
IUPAC Name3-propan-2-yl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-8-azabicyclo[3.2.1]octane
SMILESCC(C)C1CC2CCC(C1)N2C(C)CCC(C)N1CC2CC1CN2C(C)C
InChIInChI=1S/C24H45N3/c1-16(2)20-11-21-9-10-22(12-20)27(21)19(6)8-7-18(5)26-15-23-13-24(26)14-25(23)17(3)4/h16-24H,7-15H2,1-6H3
InChIKeyJPRAWRAWLVPMQC-UHFFFAOYSA-N
XLogP4.61
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.65
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-propan-2-yl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-8-azabicyclo[3.2.1]octane (CID 138722435) is 3-propan-2-yl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-propan-2-yl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-propan-2-yl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-8-azabicyclo[3.2.1]octane is CC(C)C1CC2CCC(C1)N2C(C)CCC(C)N1CC2CC1CN2C(C)C.
What is the InChIKey of 3-propan-2-yl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-8-azabicyclo[3.2.1]octane?
The InChIKey is JPRAWRAWLVPMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45N3/c1-16(2)20-11-21-9-10-22(12-20)27(21)19(6)8-7-18(5)26-15-23-13-24(26)14-25(23)17(3)4/h16-24H,7-15H2,1-6H3.
What are the key properties of 3-propan-2-yl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-8-azabicyclo[3.2.1]octane?
3-propan-2-yl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-8-azabicyclo[3.2.1]octane has a molecular weight of 375.65 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 138722435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).