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

C23H43N3 — CID 135188561

IUPAC3-methyl-8-[5-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane
SMILESCC(CCC(C)N1C2CCC1CN(C)C2)C1CC2CCC(C1)N2C(C)C
InChIInChI=1S/C23H43N3/c1-16(2)25-20-8-9-21(25)13-19(12-20)17(3)6-7-18(4)26-22-10-11-23(26)15-24(5)14-22/h16-23H,6-15H2,1-5H3
InChIKeyIEPHHUUCYVKVNH-UHFFFAOYSA-N
MW361.62 g/mol
LogP4.22
Rot. Bonds6

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

3-methyl-8-[5-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane (PubChem CID 135188561) has the molecular formula C23H43N3 and a molecular weight of 361.62 g/mol. Its IUPAC name is 3-methyl-8-[5-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-methyl-8-[5-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane
PubChem CID135188561
Molecular FormulaC23H43N3
Molecular Weight361.62 g/mol
Exact Mass361.35
IUPAC Name3-methyl-8-[5-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane
SMILESCC(CCC(C)N1C2CCC1CN(C)C2)C1CC2CCC(C1)N2C(C)C
InChIInChI=1S/C23H43N3/c1-16(2)25-20-8-9-21(25)13-19(12-20)17(3)6-7-18(4)26-22-10-11-23(26)15-24(5)14-22/h16-23H,6-15H2,1-5H3
InChIKeyIEPHHUUCYVKVNH-UHFFFAOYSA-N
XLogP4.22
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.62
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methyl-8-[5-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-[5-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-methyl-8-[5-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane (CID 135188561) is 3-methyl-8-[5-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-methyl-8-[5-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-methyl-8-[5-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane is CC(CCC(C)N1C2CCC1CN(C)C2)C1CC2CCC(C1)N2C(C)C.
What is the InChIKey of 3-methyl-8-[5-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is IEPHHUUCYVKVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43N3/c1-16(2)25-20-8-9-21(25)13-19(12-20)17(3)6-7-18(4)26-22-10-11-23(26)15-24(5)14-22/h16-23H,6-15H2,1-5H3.
What are the key properties of 3-methyl-8-[5-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane?
3-methyl-8-[5-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 361.62 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-[5-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 135188561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).