6-[[8-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]-3-methyl-3-azabicyclo[3.2.1]octan-8-amine

C22H40N6 — CID 148746254

IUPAC6-[[8-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]-3-methyl-3-azabicyclo[3.2.1]octan-8-amine
SMILESCN1CC2CC(CN3CC4NCC3CC4CN3CC4CCC(C3)N4)C(C1)C2N
InChIInChI=1S/C22H40N6/c1-26-7-16-4-14(20(12-26)22(16)23)9-28-13-21-15(5-19(28)6-24-21)8-27-10-17-2-3-18(11-27)25-17/h14-22,24-25H,2-13,23H2,1H3
InChIKeyODUWFPAWGJIUOH-UHFFFAOYSA-N
MW388.60 g/mol
LogP-0.39
Rot. Bonds4

About 6-[[8-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]-3-methyl-3-azabicyclo[3.2.1]octan-8-amine

6-[[8-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]-3-methyl-3-azabicyclo[3.2.1]octan-8-amine (PubChem CID 148746254) has the molecular formula C22H40N6 and a molecular weight of 388.60 g/mol. Its IUPAC name is 6-[[8-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]-3-methyl-3-azabicyclo[3.2.1]octan-8-amine.

Molecular Properties

Compound Name6-[[8-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]-3-methyl-3-azabicyclo[3.2.1]octan-8-amine
PubChem CID148746254
Molecular FormulaC22H40N6
Molecular Weight388.60 g/mol
Exact Mass388.33
IUPAC Name6-[[8-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]-3-methyl-3-azabicyclo[3.2.1]octan-8-amine
SMILESCN1CC2CC(CN3CC4NCC3CC4CN3CC4CCC(C3)N4)C(C1)C2N
InChIInChI=1S/C22H40N6/c1-26-7-16-4-14(20(12-26)22(16)23)9-28-13-21-15(5-19(28)6-24-21)8-27-10-17-2-3-18(11-27)25-17/h14-22,24-25H,2-13,23H2,1H3
InChIKeyODUWFPAWGJIUOH-UHFFFAOYSA-N
XLogP-0.39
TPSA59.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.60
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[[8-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]-3-methyl-3-azabicyclo[3.2.1]octan-8-amine with MolForge

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

Launch Full Analysis

Related Compounds

6-[[(8S)-8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]-3-methyl-3-azabicyclo[3.2.1]octan-8-amine
CID 146863567
2-Azabicyclo[2.2.1]heptane;3-azabicyclo[3.2.1]octane;1-cyclopropylpiperazine;1-methylpiperazine;piperidine
CID 157893670
3-tert-butyl-3-azabicyclo[3.2.1]octane;1-tert-butyl-3,5-dimethylpiperazine;(3S,5R)-1-tert-butyl-3,5-dimethylpiperazine;1-tert-butyl-2,6-dimethylpiperidine;(2R,6S)-1-tert-butyl-2,6-dimethylpiperidine;bis(1-tert-butyl-4-ethylpiperazine);1-tert-butyl-4-methylpiperazine;bis(1-tert-butylpiperidine);1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butylpyrrolidine;(2S,6R)-4-tert-butyl-1,2,6-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methane
CID 157953789
Ethane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;1-propan-2-ylazepane;1-propan-2-ylpiperazine;tris(1-propan-2-ylpiperidine)
CID 159638837
8-(1-Azabicyclo[3.2.1]octan-2-yl)-2-(2-azabicyclo[2.2.2]octan-6-yl)-2-azabicyclo[3.2.1]octane
CID 175638095

Frequently Asked Questions

What is the IUPAC name of 6-[[8-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]-3-methyl-3-azabicyclo[3.2.1]octan-8-amine?
The IUPAC name of 6-[[8-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]-3-methyl-3-azabicyclo[3.2.1]octan-8-amine (CID 148746254) is 6-[[8-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]-3-methyl-3-azabicyclo[3.2.1]octan-8-amine.
What is the SMILES notation for 6-[[8-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]-3-methyl-3-azabicyclo[3.2.1]octan-8-amine?
The canonical SMILES for 6-[[8-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]-3-methyl-3-azabicyclo[3.2.1]octan-8-amine is CN1CC2CC(CN3CC4NCC3CC4CN3CC4CCC(C3)N4)C(C1)C2N.
What is the InChIKey of 6-[[8-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]-3-methyl-3-azabicyclo[3.2.1]octan-8-amine?
The InChIKey is ODUWFPAWGJIUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N6/c1-26-7-16-4-14(20(12-26)22(16)23)9-28-13-21-15(5-19(28)6-24-21)8-27-10-17-2-3-18(11-27)25-17/h14-22,24-25H,2-13,23H2,1H3.
What are the key properties of 6-[[8-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]-3-methyl-3-azabicyclo[3.2.1]octan-8-amine?
6-[[8-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]-3-methyl-3-azabicyclo[3.2.1]octan-8-amine has a molecular weight of 388.60 g/mol, XLogP of -0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[8-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]-3-methyl-3-azabicyclo[3.2.1]octan-8-amine is sourced from PubChem (CID 148746254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).