ethane;methane;7-(3-propan-2-yloxypropyl)-2,7-diazaspiro[3.5]nonane

C16H36N2O — CID 156867278

IUPACethane;methane;7-(3-propan-2-yloxypropyl)-2,7-diazaspiro[3.5]nonane
SMILESC.CC.CC(C)OCCCN1CCC2(CC1)CNC2
InChIInChI=1S/C13H26N2O.C2H6.CH4/c1-12(2)16-9-3-6-15-7-4-13(5-8-15)10-14-11-13;1-2;/h12,14H,3-11H2,1-2H3;1-2H3;1H4
InChIKeyUTAAWGLEPQVYHF-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.15
Rot. Bonds5

About ethane;methane;7-(3-propan-2-yloxypropyl)-2,7-diazaspiro[3.5]nonane

ethane;methane;7-(3-propan-2-yloxypropyl)-2,7-diazaspiro[3.5]nonane (PubChem CID 156867278) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is ethane;methane;7-(3-propan-2-yloxypropyl)-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Nameethane;methane;7-(3-propan-2-yloxypropyl)-2,7-diazaspiro[3.5]nonane
PubChem CID156867278
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC Nameethane;methane;7-(3-propan-2-yloxypropyl)-2,7-diazaspiro[3.5]nonane
SMILESC.CC.CC(C)OCCCN1CCC2(CC1)CNC2
InChIInChI=1S/C13H26N2O.C2H6.CH4/c1-12(2)16-9-3-6-15-7-4-13(5-8-15)10-14-11-13;1-2;/h12,14H,3-11H2,1-2H3;1-2H3;1H4
InChIKeyUTAAWGLEPQVYHF-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(3-Fluoroazetidin-3-yl)methoxy]-1-methylpiperidine
CID 176675959
7-(3-Methoxypropyl)-2,7-diazaspiro[3.5]nonane
CID 84115770
2-Tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane
CID 134335563
7-(3-Propan-2-yloxypropyl)-2,7-diazaspiro[3.5]nonane
CID 135173644
Ethane;7-(3-methoxypropyl)-2-methyl-2,7-diazaspiro[3.5]nonane
CID 156867922
7-(3-Methoxycyclobutyl)-7-aza-2-azoniaspiro[3.5]nonane
CID 166077502
7-(3-Methoxycyclobutyl)-2,7-diazaspiro[3.5]nonane
CID 166077503
4-(Azetidin-3-ylmethoxy)-1-methylpiperidine
CID 169614386
2-Methyl-7-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane
CID 169658728
7-[3-[(2-Methylpropan-2-yl)oxy]cyclobutyl]-2,7-diazaspiro[3.5]nonane
CID 169685002
2-tert-butyl-7-[3-[(2R)-3-methylbutan-2-yl]oxypropyl]-2,7-diazaspiro[3.5]nonane
CID 173975265
7-[[1-(Propan-2-yloxymethyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane
CID 174181727

Frequently Asked Questions

What is the IUPAC name of ethane;methane;7-(3-propan-2-yloxypropyl)-2,7-diazaspiro[3.5]nonane?
The IUPAC name of ethane;methane;7-(3-propan-2-yloxypropyl)-2,7-diazaspiro[3.5]nonane (CID 156867278) is ethane;methane;7-(3-propan-2-yloxypropyl)-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for ethane;methane;7-(3-propan-2-yloxypropyl)-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for ethane;methane;7-(3-propan-2-yloxypropyl)-2,7-diazaspiro[3.5]nonane is C.CC.CC(C)OCCCN1CCC2(CC1)CNC2.
What is the InChIKey of ethane;methane;7-(3-propan-2-yloxypropyl)-2,7-diazaspiro[3.5]nonane?
The InChIKey is UTAAWGLEPQVYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.C2H6.CH4/c1-12(2)16-9-3-6-15-7-4-13(5-8-15)10-14-11-13;1-2;/h12,14H,3-11H2,1-2H3;1-2H3;1H4.
What are the key properties of ethane;methane;7-(3-propan-2-yloxypropyl)-2,7-diazaspiro[3.5]nonane?
ethane;methane;7-(3-propan-2-yloxypropyl)-2,7-diazaspiro[3.5]nonane has a molecular weight of 272.48 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;7-(3-propan-2-yloxypropyl)-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 156867278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).