4-tert-butyl-7-propyl-4,7-diazaspiro[2.5]octane

C13H26N2 — CID 174296005

IUPAC4-tert-butyl-7-propyl-4,7-diazaspiro[2.5]octane
SMILESCCCN1CCN(C(C)(C)C)C2(CC2)C1
InChIInChI=1S/C13H26N2/c1-5-8-14-9-10-15(12(2,3)4)13(11-14)6-7-13/h5-11H2,1-4H3
InChIKeyZPJGLUFMRMNQGW-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.35
Rot. Bonds2

About 4-tert-butyl-7-propyl-4,7-diazaspiro[2.5]octane

4-tert-butyl-7-propyl-4,7-diazaspiro[2.5]octane (PubChem CID 174296005) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 4-tert-butyl-7-propyl-4,7-diazaspiro[2.5]octane.

Molecular Properties

Compound Name4-tert-butyl-7-propyl-4,7-diazaspiro[2.5]octane
PubChem CID174296005
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name4-tert-butyl-7-propyl-4,7-diazaspiro[2.5]octane
SMILESCCCN1CCN(C(C)(C)C)C2(CC2)C1
InChIInChI=1S/C13H26N2/c1-5-8-14-9-10-15(12(2,3)4)13(11-14)6-7-13/h5-11H2,1-4H3
InChIKeyZPJGLUFMRMNQGW-UHFFFAOYSA-N
XLogP2.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-propan-2-yl-7-propyl-4,7-diazaspiro[2.5]octane
CID 121459196
1-tert-butyl-4-propylpiperazine
CID 58721754
5-tert-butyl-8-(2,2-dimethylpropyl)-2-oxa-5,8-diazaspiro[3.5]nonane
CID 171407041
(3R)-3-fluoro-3-methyl-1-propylpyrrolidine
CID 177367853
2,2-dimethyl-3-(4-propylpiperazin-1-yl)propan-1-amine
CID 62263340
1-propyl-3-(trifluoromethyl)piperidin-3-ol
CID 175945358
3-[bromo(difluoro)methyl]-1-propylpyrrolidin-3-ol
CID 131048262
1-(2-methylpentan-2-yl)-4-propylpiperazine
CID 170790911
7-propyl-1-oxa-7-azaspiro[3.5]nonane
CID 131102344
1-propyl-4-(2-pyrrolidin-1-ylethyl)piperazine
CID 135208810
1-tert-butyl-1-azaspiro[3.5]nonane
CID 118157692
3-tert-butyl-1-propylazetidine
CID 134337419

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-7-propyl-4,7-diazaspiro[2.5]octane?
The IUPAC name of 4-tert-butyl-7-propyl-4,7-diazaspiro[2.5]octane (CID 174296005) is 4-tert-butyl-7-propyl-4,7-diazaspiro[2.5]octane.
What is the SMILES notation for 4-tert-butyl-7-propyl-4,7-diazaspiro[2.5]octane?
The canonical SMILES for 4-tert-butyl-7-propyl-4,7-diazaspiro[2.5]octane is CCCN1CCN(C(C)(C)C)C2(CC2)C1.
What is the InChIKey of 4-tert-butyl-7-propyl-4,7-diazaspiro[2.5]octane?
The InChIKey is ZPJGLUFMRMNQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-5-8-14-9-10-15(12(2,3)4)13(11-14)6-7-13/h5-11H2,1-4H3.
What are the key properties of 4-tert-butyl-7-propyl-4,7-diazaspiro[2.5]octane?
4-tert-butyl-7-propyl-4,7-diazaspiro[2.5]octane has a molecular weight of 210.36 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-7-propyl-4,7-diazaspiro[2.5]octane is sourced from PubChem (CID 174296005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).