8-butyl-N-ethyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine

C15H29NO2 — CID 68694520

IUPAC8-butyl-N-ethyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCCCC1(N(C)CC)CCC2(CC1)OCCO2
InChIInChI=1S/C15H29NO2/c1-4-6-7-14(16(3)5-2)8-10-15(11-9-14)17-12-13-18-15/h4-13H2,1-3H3
InChIKeyYCHOSMUCMDXYBP-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.18
Rot. Bonds5

About 8-butyl-N-ethyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine

8-butyl-N-ethyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 68694520) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 8-butyl-N-ethyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name8-butyl-N-ethyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID68694520
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name8-butyl-N-ethyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCCCC1(N(C)CC)CCC2(CC1)OCCO2
InChIInChI=1S/C15H29NO2/c1-4-6-7-14(16(3)5-2)8-10-15(11-9-14)17-12-13-18-15/h4-13H2,1-3H3
InChIKeyYCHOSMUCMDXYBP-UHFFFAOYSA-N
XLogP3.18
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-butyl-N-ethyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 8-butyl-N-ethyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 68694520) is 8-butyl-N-ethyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 8-butyl-N-ethyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 8-butyl-N-ethyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine is CCCCC1(N(C)CC)CCC2(CC1)OCCO2.
What is the InChIKey of 8-butyl-N-ethyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is YCHOSMUCMDXYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-6-7-14(16(3)5-2)8-10-15(11-9-14)17-12-13-18-15/h4-13H2,1-3H3.
What are the key properties of 8-butyl-N-ethyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
8-butyl-N-ethyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 255.40 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butyl-N-ethyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 68694520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).