N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,4-dioxaspiro[4.5]decan-8-amine

C14H28N2O3 — CID 103096650

IUPACN-[2-[2-(dimethylamino)ethoxy]ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(C)CCOCCNC1CCC2(CC1)OCCO2
InChIInChI=1S/C14H28N2O3/c1-16(2)8-10-17-9-7-15-13-3-5-14(6-4-13)18-11-12-19-14/h13,15H,3-12H2,1-2H3
InChIKeyMKOAGUGCCDWYDG-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.84
Rot. Bonds7

About N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,4-dioxaspiro[4.5]decan-8-amine

N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 103096650) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID103096650
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(C)CCOCCNC1CCC2(CC1)OCCO2
InChIInChI=1S/C14H28N2O3/c1-16(2)8-10-17-9-7-15-13-3-5-14(6-4-13)18-11-12-19-14/h13,15H,3-12H2,1-2H3
InChIKeyMKOAGUGCCDWYDG-UHFFFAOYSA-N
XLogP0.84
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methoxyethoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 28721496
2-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethoxy]acetamide
CID 114162148
N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-methoxycyclohexan-1-amine
CID 107094281
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103080762
N-[2-(2-methylphenoxy)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 86793837
N-pent-3-ynyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 116643059
N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 107094063
N-(cyclopentylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43370815
N-[(1-propan-2-ylcyclopropyl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 113454913
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,3,5-trimethylcyclohexan-1-amine
CID 113357739
N-(oxan-4-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 63727494
N-pent-4-ynyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 104924934

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,4-dioxaspiro[4.5]decan-8-amine (CID 103096650) is N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,4-dioxaspiro[4.5]decan-8-amine is CN(C)CCOCCNC1CCC2(CC1)OCCO2.
What is the InChIKey of N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is MKOAGUGCCDWYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-16(2)8-10-17-9-7-15-13-3-5-14(6-4-13)18-11-12-19-14/h13,15H,3-12H2,1-2H3.
What are the key properties of N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 272.39 g/mol, XLogP of 0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 103096650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).