N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)methanimine

C9H16N2O2 — CID 20761881

IUPACN-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)methanimine
SMILESC=NCN1CCC2(CC1)OCCO2
InChIInChI=1S/C9H16N2O2/c1-10-8-11-4-2-9(3-5-11)12-6-7-13-9/h1-8H2
InChIKeyXKHPILULUIYGRK-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.48
Rot. Bonds2

About N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)methanimine

N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)methanimine (PubChem CID 20761881) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)methanimine.

Molecular Properties

Compound NameN-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)methanimine
PubChem CID20761881
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)methanimine
SMILESC=NCN1CCC2(CC1)OCCO2
InChIInChI=1S/C9H16N2O2/c1-10-8-11-4-2-9(3-5-11)12-6-7-13-9/h1-8H2
InChIKeyXKHPILULUIYGRK-UHFFFAOYSA-N
XLogP0.48
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

8-(3-methylbut-3-enyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 114448872
ethane;8-propyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 143370100
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylpropane-2-thiol
CID 15448993
8-ethyl-1,4-dioxa-8-azaspiro[4.5]decane;4-ethylmorpholine
CID 91090838
8-octyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 21249280
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)hexan-1-amine
CID 129354044
CID 59303836
CID 59303836
8-(3-methylsulfanylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 115647631
8-(3-chloro-2-methylprop-2-enyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 106438488
7-(3-methylbut-3-enyl)-1,4-dioxa-7-azaspiro[4.4]nonane
CID 130964518
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpropanamide
CID 112726882
8-[2-(2-methoxyethoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 79885602

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)methanimine?
The IUPAC name of N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)methanimine (CID 20761881) is N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)methanimine.
What is the SMILES notation for N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)methanimine?
The canonical SMILES for N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)methanimine is C=NCN1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)methanimine?
The InChIKey is XKHPILULUIYGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-10-8-11-4-2-9(3-5-11)12-6-7-13-9/h1-8H2.
What are the key properties of N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)methanimine?
N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)methanimine has a molecular weight of 184.24 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)methanimine is sourced from PubChem (CID 20761881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).