5-methyl-2,5-diazaspiro[3.41]pentatetracontane

C44H88N2 — CID 134587859

IUPAC5-methyl-2,5-diazaspiro[3.41]pentatetracontane
SMILESCN1CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC12CNC2
InChIInChI=1S/C44H88N2/c1-46-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-44(46)42-45-43-44/h45H,2-43H2,1H3
InChIKeyUQVCCTMIAUTENT-UHFFFAOYSA-N
MW645.20 g/mol
LogP14.49
Rot. Bonds

About 5-methyl-2,5-diazaspiro[3.41]pentatetracontane

5-methyl-2,5-diazaspiro[3.41]pentatetracontane (PubChem CID 134587859) has the molecular formula C44H88N2 and a molecular weight of 645.20 g/mol. Its IUPAC name is 5-methyl-2,5-diazaspiro[3.41]pentatetracontane.

Molecular Properties

Compound Name5-methyl-2,5-diazaspiro[3.41]pentatetracontane
PubChem CID134587859
Molecular FormulaC44H88N2
Molecular Weight645.20 g/mol
Exact Mass644.69
IUPAC Name5-methyl-2,5-diazaspiro[3.41]pentatetracontane
SMILESCN1CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC12CNC2
InChIInChI=1S/C44H88N2/c1-46-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-44(46)42-45-43-44/h45H,2-43H2,1H3
InChIKeyUQVCCTMIAUTENT-UHFFFAOYSA-N
XLogP14.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.20
LogP ≤ 514.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-1,4-diazaspiro[5.5]undecane
CID 20761876
1-methyl-1,7-diazaspiro[4.4]nonane
CID 52988115
(5S)-1-methyl-1,7-diazaspiro[4.4]nonane
CID 86326981
ethane;1-methyl-1,8-diazaspiro[3.5]nonane
CID 156845056
ethane;1-methyl-1,7-diazaspiro[3.4]octane
CID 143687506
6-methyl-2,6-diazaspiro[4.5]decan-3-one
CID 105433849
CID 173487034
CID 173487034
1-methyl-1-azaspiro[3.3]heptane
CID 118001601
1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
CID 64845620
2,5-dimethyl-2,5-diazaspiro[3.4]octane
CID 59187037
1-methyl-1-azaspiro[4.5]decan-8-amine
CID 72699012
(5R,8S)-1,8-dimethyl-1-azaspiro[4.4]nonane
CID 169125835

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,5-diazaspiro[3.41]pentatetracontane?
The IUPAC name of 5-methyl-2,5-diazaspiro[3.41]pentatetracontane (CID 134587859) is 5-methyl-2,5-diazaspiro[3.41]pentatetracontane.
What is the SMILES notation for 5-methyl-2,5-diazaspiro[3.41]pentatetracontane?
The canonical SMILES for 5-methyl-2,5-diazaspiro[3.41]pentatetracontane is CN1CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC12CNC2.
What is the InChIKey of 5-methyl-2,5-diazaspiro[3.41]pentatetracontane?
The InChIKey is UQVCCTMIAUTENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H88N2/c1-46-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-44(46)42-45-43-44/h45H,2-43H2,1H3.
What are the key properties of 5-methyl-2,5-diazaspiro[3.41]pentatetracontane?
5-methyl-2,5-diazaspiro[3.41]pentatetracontane has a molecular weight of 645.20 g/mol, XLogP of 14.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,5-diazaspiro[3.41]pentatetracontane is sourced from PubChem (CID 134587859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).