N-[3-(2-methoxyethoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine

C14H27NO4 — CID 28721496

IUPACN-[3-(2-methoxyethoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCOCCOCCCNC1CCC2(CC1)OCCO2
InChIInChI=1S/C14H27NO4/c1-16-9-10-17-8-2-7-15-13-3-5-14(6-4-13)18-11-12-19-14/h13,15H,2-12H2,1H3
InChIKeyOELAAKRBNDXXGW-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.31
Rot. Bonds8

About N-[3-(2-methoxyethoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine

N-[3-(2-methoxyethoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 28721496) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID28721496
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC NameN-[3-(2-methoxyethoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCOCCOCCCNC1CCC2(CC1)OCCO2
InChIInChI=1S/C14H27NO4/c1-16-9-10-17-8-2-7-15-13-3-5-14(6-4-13)18-11-12-19-14/h13,15H,2-12H2,1H3
InChIKeyOELAAKRBNDXXGW-UHFFFAOYSA-N
XLogP1.31
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.31
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-[2-[2-(dimethylamino)ethoxy]ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 103096650
8-[3-(2-methoxyethoxy)propoxy]-1,4-dioxaspiro[4.5]decane
CID 103409869
N-[3-(2-methoxyethoxy)propyl]piperidin-4-amine
CID 61016689
N-[3-(2-methoxyethoxy)propyl]cyclohex-3-en-1-amine
CID 103409551
2-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethoxy]acetamide
CID 114162148
N-[3-(2-methoxyethoxy)propyl]-1-methylpiperidin-4-amine
CID 28720517
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine
CID 104560665
N-pent-4-ynyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 104924934
N-[3-(2-methoxyethoxy)propyl]-3,5-dimethylcyclohexan-1-amine
CID 64724806
N-[3-(2-methoxyethoxy)propyl]-4-methylcycloheptan-1-amine
CID 65081277
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

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-[3-(2-methoxyethoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine (CID 28721496) is N-[3-(2-methoxyethoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-[3-(2-methoxyethoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-[3-(2-methoxyethoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine is COCCOCCCNC1CCC2(CC1)OCCO2.
What is the InChIKey of N-[3-(2-methoxyethoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is OELAAKRBNDXXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-16-9-10-17-8-2-7-15-13-3-5-14(6-4-13)18-11-12-19-14/h13,15H,2-12H2,1H3.
What are the key properties of N-[3-(2-methoxyethoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine?
N-[3-(2-methoxyethoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 273.37 g/mol, XLogP of 1.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 28721496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).