7-methyl-2-[4-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)pentyl]-2,7-diazaspiro[3.4]octane

C21H40N4 — CID 130204205

IUPAC7-methyl-2-[4-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)pentyl]-2,7-diazaspiro[3.4]octane
SMILESCC(C)N1CC2(CCN(C(C)CCCN3CC4(CCN(C)C4)C3)C2)C1
InChIInChI=1S/C21H40N4/c1-18(2)25-16-21(17-25)8-11-24(15-21)19(3)6-5-9-23-13-20(14-23)7-10-22(4)12-20/h18-19H,5-17H2,1-4H3
InChIKeyGJQQOYKZGCQHRE-UHFFFAOYSA-N
MW348.58 g/mol
LogP2.21
Rot. Bonds6

About 7-methyl-2-[4-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)pentyl]-2,7-diazaspiro[3.4]octane

7-methyl-2-[4-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)pentyl]-2,7-diazaspiro[3.4]octane (PubChem CID 130204205) has the molecular formula C21H40N4 and a molecular weight of 348.58 g/mol. Its IUPAC name is 7-methyl-2-[4-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)pentyl]-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name7-methyl-2-[4-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)pentyl]-2,7-diazaspiro[3.4]octane
PubChem CID130204205
Molecular FormulaC21H40N4
Molecular Weight348.58 g/mol
Exact Mass348.33
IUPAC Name7-methyl-2-[4-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)pentyl]-2,7-diazaspiro[3.4]octane
SMILESCC(C)N1CC2(CCN(C(C)CCCN3CC4(CCN(C)C4)C3)C2)C1
InChIInChI=1S/C21H40N4/c1-18(2)25-16-21(17-25)8-11-24(15-21)19(3)6-5-9-23-13-20(14-23)7-10-22(4)12-20/h18-19H,5-17H2,1-4H3
InChIKeyGJQQOYKZGCQHRE-UHFFFAOYSA-N
XLogP2.21
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.58
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-methyl-2-[4-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)pentyl]-2,7-diazaspiro[3.4]octane 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

2-Propan-2-yl-7-[5-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)pentan-2-yl]-2,7-diazaspiro[3.4]octane
CID 130204193
Methyl-[2-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)ethyl]-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)-lambda3-iodane
CID 145349516
7-propan-2-yl-2-[5-[(1R,5S)-6-propan-2-yl-3,6-diazabicyclo[3.2.0]heptan-3-yl]hexan-2-yl]-2,7-diazaspiro[3.4]octane
CID 156369330
(2R)-2-ethyl-1-propan-2-ylazetidine;(2S)-2-ethyl-1-propan-2-ylazetidine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine
CID 157264847
CID 158561709
CID 158561709
(2R)-2-ethyl-1-propan-2-ylazetidine;(2S)-2-ethyl-1-propan-2-ylazetidine;methane;(3R)-3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine
CID 159143441
2,7-Di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane
CID 159223030
2,7-Di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;ethane
CID 162375660
2,7-Di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;ethane
CID 162375903
2,6-Di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane
CID 163848476
Bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane);2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane
CID 164070559
Ethane;7-ethyl-2-propyl-2,7-diazaspiro[3.4]octane;2-methyl-6-propyl-2,6-diazaspiro[3.4]octane
CID 164857966

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[4-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)pentyl]-2,7-diazaspiro[3.4]octane?
The IUPAC name of 7-methyl-2-[4-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)pentyl]-2,7-diazaspiro[3.4]octane (CID 130204205) is 7-methyl-2-[4-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)pentyl]-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 7-methyl-2-[4-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)pentyl]-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 7-methyl-2-[4-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)pentyl]-2,7-diazaspiro[3.4]octane is CC(C)N1CC2(CCN(C(C)CCCN3CC4(CCN(C)C4)C3)C2)C1.
What is the InChIKey of 7-methyl-2-[4-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)pentyl]-2,7-diazaspiro[3.4]octane?
The InChIKey is GJQQOYKZGCQHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N4/c1-18(2)25-16-21(17-25)8-11-24(15-21)19(3)6-5-9-23-13-20(14-23)7-10-22(4)12-20/h18-19H,5-17H2,1-4H3.
What are the key properties of 7-methyl-2-[4-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)pentyl]-2,7-diazaspiro[3.4]octane?
7-methyl-2-[4-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)pentyl]-2,7-diazaspiro[3.4]octane has a molecular weight of 348.58 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[4-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)pentyl]-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 130204205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).