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

C12H23NO2 — CID 79898440

IUPACN-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCC(C)CNC1CCOC2(CCOC2)C1
InChIInChI=1S/C12H23NO2/c1-10(2)8-13-11-3-5-15-12(7-11)4-6-14-9-12/h10-11,13H,3-9H2,1-2H3
InChIKeyJISKJKDXTZYKQY-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.57
Rot. Bonds3

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

N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 79898440) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID79898440
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCC(C)CNC1CCOC2(CCOC2)C1
InChIInChI=1S/C12H23NO2/c1-10(2)8-13-11-3-5-15-12(7-11)4-6-14-9-12/h10-11,13H,3-9H2,1-2H3
InChIKeyJISKJKDXTZYKQY-UHFFFAOYSA-N
XLogP1.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903290
N-(2-methylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903955
N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898518
2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-N-(2-methylpropyl)propanamide
CID 115885270
N-[2-(3-methylbutoxy)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895677
N-butan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898146
N-(2-methylsulfanylethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79904121
N-(cyclohexylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898486
N-(3-methoxypropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898117
3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-dimethylpropan-1-ol
CID 115359952
1-N-(2,6-dioxaspiro[4.5]decan-9-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79895671
N-(2,2,3,3-tetrafluoropropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 114169259

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine (CID 79898440) is N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine is CC(C)CNC1CCOC2(CCOC2)C1.
What is the InChIKey of N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is JISKJKDXTZYKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(2)8-13-11-3-5-15-12(7-11)4-6-14-9-12/h10-11,13H,3-9H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine?
N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 213.32 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79898440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).