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

C14H27NO2 — CID 57475097

IUPAC8-butyl-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCCCC1(N(C)C)CCC2(CC1)OCCO2
InChIInChI=1S/C14H27NO2/c1-4-5-6-13(15(2)3)7-9-14(10-8-13)16-11-12-17-14/h4-12H2,1-3H3
InChIKeyRVFLHEIAIRSOIO-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.79
Rot. Bonds4

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

8-butyl-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 57475097) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 8-butyl-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name8-butyl-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID57475097
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name8-butyl-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCCCC1(N(C)C)CCC2(CC1)OCCO2
InChIInChI=1S/C14H27NO2/c1-4-5-6-13(15(2)3)7-9-14(10-8-13)16-11-12-17-14/h4-12H2,1-3H3
InChIKeyRVFLHEIAIRSOIO-UHFFFAOYSA-N
XLogP2.79
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-butyl-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 8-butyl-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 57475097) is 8-butyl-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 8-butyl-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 8-butyl-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine is CCCCC1(N(C)C)CCC2(CC1)OCCO2.
What is the InChIKey of 8-butyl-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is RVFLHEIAIRSOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-5-6-13(15(2)3)7-9-14(10-8-13)16-11-12-17-14/h4-12H2,1-3H3.
What are the key properties of 8-butyl-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine?
8-butyl-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 241.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butyl-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 57475097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).