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

C20H38N4 — CID 138578590

IUPAC8-methyl-3-[(2R,5S)-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane
SMILESC[C@H](CC[C@H](C)N1CC2CCC(C1)N2C)N1CC2CCC(C1)N2C
InChIInChI=1S/C20H38N4/c1-15(23-11-17-7-8-18(12-23)21(17)3)5-6-16(2)24-13-19-9-10-20(14-24)22(19)4/h15-20H,5-14H2,1-4H3/t15-,16+,17?,18?,19?,20?
InChIKeySSEOCQBVZIGTFP-GTAKNVHYSA-N
MW334.55 g/mol
LogP2.10
Rot. Bonds5

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

8-methyl-3-[(2R,5S)-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane (PubChem CID 138578590) has the molecular formula C20H38N4 and a molecular weight of 334.55 g/mol. Its IUPAC name is 8-methyl-3-[(2R,5S)-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-methyl-3-[(2R,5S)-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane
PubChem CID138578590
Molecular FormulaC20H38N4
Molecular Weight334.55 g/mol
Exact Mass334.31
IUPAC Name8-methyl-3-[(2R,5S)-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane
SMILESC[C@H](CC[C@H](C)N1CC2CCC(C1)N2C)N1CC2CCC(C1)N2C
InChIInChI=1S/C20H38N4/c1-15(23-11-17-7-8-18(12-23)21(17)3)5-6-16(2)24-13-19-9-10-20(14-24)22(19)4/h15-20H,5-14H2,1-4H3/t15-,16+,17?,18?,19?,20?
InChIKeySSEOCQBVZIGTFP-GTAKNVHYSA-N
XLogP2.10
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.55
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-methyl-3-[(2R,5S)-5-(8-methyl-3,8-diazabicyclo[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 8-methyl-3-[(2R,5S)-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-methyl-3-[(2R,5S)-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane (CID 138578590) is 8-methyl-3-[(2R,5S)-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-methyl-3-[(2R,5S)-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-methyl-3-[(2R,5S)-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane is C[C@H](CC[C@H](C)N1CC2CCC(C1)N2C)N1CC2CCC(C1)N2C.
What is the InChIKey of 8-methyl-3-[(2R,5S)-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is SSEOCQBVZIGTFP-GTAKNVHYSA-N. The full InChI is InChI=1S/C20H38N4/c1-15(23-11-17-7-8-18(12-23)21(17)3)5-6-16(2)24-13-19-9-10-20(14-24)22(19)4/h15-20H,5-14H2,1-4H3/t15-,16+,17?,18?,19?,20?.
What are the key properties of 8-methyl-3-[(2R,5S)-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane?
8-methyl-3-[(2R,5S)-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 334.55 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[(2R,5S)-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 138578590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).