N-(2-methylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine

C13H25NO2 — CID 79903955

IUPACN-(2-methylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCCC(C)CNC1CCOC2(CCOC2)C1
InChIInChI=1S/C13H25NO2/c1-3-11(2)9-14-12-4-6-16-13(8-12)5-7-15-10-13/h11-12,14H,3-10H2,1-2H3
InChIKeyINLYVYIZUVSJHF-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.96
Rot. Bonds4

About N-(2-methylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine

N-(2-methylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 79903955) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(2-methylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(2-methylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID79903955
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-(2-methylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCCC(C)CNC1CCOC2(CCOC2)C1
InChIInChI=1S/C13H25NO2/c1-3-11(2)9-14-12-4-6-16-13(8-12)5-7-15-10-13/h11-12,14H,3-10H2,1-2H3
InChIKeyINLYVYIZUVSJHF-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898440
N-(2,3-dimethylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903290
N-butan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898146
N-(2-methylbutyl)oxan-4-amine
CID 43609665
N-(2-methylsulfanylethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79904121
N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898518
N-[2-(3-methylbutoxy)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895677
N-(2-methyl-3-methylsulfanylpropyl)-6-oxaspiro[4.5]decan-9-amine
CID 79903596
N-(1-ethoxypropan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895528
N-[(4-ethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 103894107
N-heptan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895576
N-(cyclohexylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898486

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(2-methylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine (CID 79903955) is N-(2-methylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(2-methylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(2-methylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine is CCC(C)CNC1CCOC2(CCOC2)C1.
What is the InChIKey of N-(2-methylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is INLYVYIZUVSJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-11(2)9-14-12-4-6-16-13(8-12)5-7-15-10-13/h11-12,14H,3-10H2,1-2H3.
What are the key properties of N-(2-methylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine?
N-(2-methylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 227.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79903955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).