4-(2-methoxypropyl)-7-propan-2-yl-4,7-diazaspiro[2.5]octane

C13H26N2O — CID 177159887

IUPAC4-(2-methoxypropyl)-7-propan-2-yl-4,7-diazaspiro[2.5]octane
SMILESCOC(C)CN1CCN(C(C)C)CC12CC2
InChIInChI=1S/C13H26N2O/c1-11(2)14-7-8-15(9-12(3)16-4)13(10-14)5-6-13/h11-12H,5-10H2,1-4H3
InChIKeyXELTYHZCLQULGI-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.58
Rot. Bonds4

About 4-(2-methoxypropyl)-7-propan-2-yl-4,7-diazaspiro[2.5]octane

4-(2-methoxypropyl)-7-propan-2-yl-4,7-diazaspiro[2.5]octane (PubChem CID 177159887) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-(2-methoxypropyl)-7-propan-2-yl-4,7-diazaspiro[2.5]octane.

Molecular Properties

Compound Name4-(2-methoxypropyl)-7-propan-2-yl-4,7-diazaspiro[2.5]octane
PubChem CID177159887
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-(2-methoxypropyl)-7-propan-2-yl-4,7-diazaspiro[2.5]octane
SMILESCOC(C)CN1CCN(C(C)C)CC12CC2
InChIInChI=1S/C13H26N2O/c1-11(2)14-7-8-15(9-12(3)16-4)13(10-14)5-6-13/h11-12H,5-10H2,1-4H3
InChIKeyXELTYHZCLQULGI-UHFFFAOYSA-N
XLogP1.58
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylbutyl)-7-propan-2-yl-4,7-diazaspiro[2.5]octane
CID 170953709
1,2,3-tris(2-methoxypropyl)triazinane
CID 154133094
3-ethyl-3-(methoxymethyl)-1-propan-2-ylpyrrolidine
CID 134242781
1-ethyl-2-fluoro-2-methyl-4-propan-2-ylpiperazine
CID 171505820
10-(cyclopropylmethyl)-N-methyl-N,7-di(propan-2-yl)-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carboxamide
CID 176790208
1-ethyl-4-propan-2-ylpiperazine;methane;4-methyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine)
CID 158286556
8-ethyl-9-(2-methoxypropyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 113383044
4-(2-methylpropyl)-4-azaspiro[2.4]heptane
CID 177032629
(4-methyl-1-propan-2-ylpiperidin-4-yl)phosphane
CID 175635218
2-(2-methoxyethyl)-7-propan-2-yl-2,7-diazaspiro[3.4]octane
CID 156546425
3-ethyl-1-propan-2-ylpiperidin-3-ol
CID 121277357
3-[(2,2-dimethyl-4-propan-2-ylpiperazin-1-yl)methyl]-N-methylhexan-1-amine;ethane
CID 170629385

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxypropyl)-7-propan-2-yl-4,7-diazaspiro[2.5]octane?
The IUPAC name of 4-(2-methoxypropyl)-7-propan-2-yl-4,7-diazaspiro[2.5]octane (CID 177159887) is 4-(2-methoxypropyl)-7-propan-2-yl-4,7-diazaspiro[2.5]octane.
What is the SMILES notation for 4-(2-methoxypropyl)-7-propan-2-yl-4,7-diazaspiro[2.5]octane?
The canonical SMILES for 4-(2-methoxypropyl)-7-propan-2-yl-4,7-diazaspiro[2.5]octane is COC(C)CN1CCN(C(C)C)CC12CC2.
What is the InChIKey of 4-(2-methoxypropyl)-7-propan-2-yl-4,7-diazaspiro[2.5]octane?
The InChIKey is XELTYHZCLQULGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(2)14-7-8-15(9-12(3)16-4)13(10-14)5-6-13/h11-12H,5-10H2,1-4H3.
What are the key properties of 4-(2-methoxypropyl)-7-propan-2-yl-4,7-diazaspiro[2.5]octane?
4-(2-methoxypropyl)-7-propan-2-yl-4,7-diazaspiro[2.5]octane has a molecular weight of 226.36 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxypropyl)-7-propan-2-yl-4,7-diazaspiro[2.5]octane is sourced from PubChem (CID 177159887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).