N-butan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine

C12H23NO2 — CID 79898146

IUPACN-butan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCCC(C)NC1CCOC2(CCOC2)C1
InChIInChI=1S/C12H23NO2/c1-3-10(2)13-11-4-6-15-12(8-11)5-7-14-9-12/h10-11,13H,3-9H2,1-2H3
InChIKeySUPGFOSVORASAI-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.71
Rot. Bonds3

About N-butan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine

N-butan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 79898146) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-butan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-butan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID79898146
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-butan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCCC(C)NC1CCOC2(CCOC2)C1
InChIInChI=1S/C12H23NO2/c1-3-10(2)13-11-4-6-15-12(8-11)5-7-14-9-12/h10-11,13H,3-9H2,1-2H3
InChIKeySUPGFOSVORASAI-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethoxypropan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895528
N-heptan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895576
N-(2-methylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903955
N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898440
N-(1-methylsulfanylpropan-2-yl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 113472784
N-[(1S)-1-cyclohexylethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 81384866
N-(dicyclopropylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895513
N-(2,3-dimethylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903290
N-hexan-3-yl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79894816
N-butan-2-yl-2,2-diethyloxan-4-amine
CID 83033470
2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-N-(2-methylpropyl)propanamide
CID 115885270
2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-4-methylpentanoic acid
CID 79894126

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-butan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine (CID 79898146) is N-butan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-butan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-butan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine is CCC(C)NC1CCOC2(CCOC2)C1.
What is the InChIKey of N-butan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is SUPGFOSVORASAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-10(2)13-11-4-6-15-12(8-11)5-7-14-9-12/h10-11,13H,3-9H2,1-2H3.
What are the key properties of N-butan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine?
N-butan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 213.32 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79898146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).