8-(3-methoxypropyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine

C14H27NO3 — CID 68842849

IUPAC8-(3-methoxypropyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCOCCCC1(N(C)C)CCC2(CC1)OCCO2
InChIInChI=1S/C14H27NO3/c1-15(2)13(5-4-10-16-3)6-8-14(9-7-13)17-11-12-18-14/h4-12H2,1-3H3
InChIKeyKDUBCMIDWVVBES-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.03
Rot. Bonds5

About 8-(3-methoxypropyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine

8-(3-methoxypropyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 68842849) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 8-(3-methoxypropyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name8-(3-methoxypropyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID68842849
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name8-(3-methoxypropyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCOCCCC1(N(C)C)CCC2(CC1)OCCO2
InChIInChI=1S/C14H27NO3/c1-15(2)13(5-4-10-16-3)6-8-14(9-7-13)17-11-12-18-14/h4-12H2,1-3H3
InChIKeyKDUBCMIDWVVBES-UHFFFAOYSA-N
XLogP2.03
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(3-methoxypropyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 8-(3-methoxypropyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 68842849) is 8-(3-methoxypropyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 8-(3-methoxypropyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 8-(3-methoxypropyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine is COCCCC1(N(C)C)CCC2(CC1)OCCO2.
What is the InChIKey of 8-(3-methoxypropyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is KDUBCMIDWVVBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-15(2)13(5-4-10-16-3)6-8-14(9-7-13)17-11-12-18-14/h4-12H2,1-3H3.
What are the key properties of 8-(3-methoxypropyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine?
8-(3-methoxypropyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 257.37 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methoxypropyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 68842849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).