2-(8-butyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-1-amine

C15H29NO2 — CID 68694523

IUPAC2-(8-butyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-1-amine
SMILESCCCCC1(C(C)CN)CCC2(CC1)OCCO2
InChIInChI=1S/C15H29NO2/c1-3-4-5-14(13(2)12-16)6-8-15(9-7-14)17-10-11-18-15/h13H,3-12,16H2,1-2H3
InChIKeyASTAFVBBOJVPFH-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.07
Rot. Bonds5

About 2-(8-butyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-1-amine

2-(8-butyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-1-amine (PubChem CID 68694523) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-(8-butyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-1-amine.

Molecular Properties

Compound Name2-(8-butyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-1-amine
PubChem CID68694523
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-(8-butyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-1-amine
SMILESCCCCC1(C(C)CN)CCC2(CC1)OCCO2
InChIInChI=1S/C15H29NO2/c1-3-4-5-14(13(2)12-16)6-8-15(9-7-14)17-10-11-18-15/h13H,3-12,16H2,1-2H3
InChIKeyASTAFVBBOJVPFH-UHFFFAOYSA-N
XLogP3.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(8-butyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-1-amine?
The IUPAC name of 2-(8-butyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-1-amine (CID 68694523) is 2-(8-butyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-1-amine.
What is the SMILES notation for 2-(8-butyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-1-amine?
The canonical SMILES for 2-(8-butyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-1-amine is CCCCC1(C(C)CN)CCC2(CC1)OCCO2.
What is the InChIKey of 2-(8-butyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-1-amine?
The InChIKey is ASTAFVBBOJVPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-4-5-14(13(2)12-16)6-8-15(9-7-14)17-10-11-18-15/h13H,3-12,16H2,1-2H3.
What are the key properties of 2-(8-butyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-1-amine?
2-(8-butyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-1-amine has a molecular weight of 255.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-butyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-1-amine is sourced from PubChem (CID 68694523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).