N-(2,3-dimethylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine

C14H27NO2 — CID 79903290

IUPACN-(2,3-dimethylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCC(C)C(C)CNC1CCOC2(CCOC2)C1
InChIInChI=1S/C14H27NO2/c1-11(2)12(3)9-15-13-4-6-17-14(8-13)5-7-16-10-14/h11-13,15H,4-10H2,1-3H3
InChIKeyHBUBTXAZHPIUQR-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.21
Rot. Bonds4

About N-(2,3-dimethylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine

N-(2,3-dimethylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 79903290) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID79903290
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-(2,3-dimethylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCC(C)C(C)CNC1CCOC2(CCOC2)C1
InChIInChI=1S/C14H27NO2/c1-11(2)12(3)9-15-13-4-6-17-14(8-13)5-7-16-10-14/h11-13,15H,4-10H2,1-3H3
InChIKeyHBUBTXAZHPIUQR-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.21
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-methylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903955
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-(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-(cyclohexylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898486
N-(3-methyl-2-propan-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine
CID 102905388
3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-dimethylpropan-1-ol
CID 115359952
N-(3-methoxypropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898117
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-(2,3-dimethylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(2,3-dimethylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine (CID 79903290) is N-(2,3-dimethylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(2,3-dimethylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(2,3-dimethylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine is CC(C)C(C)CNC1CCOC2(CCOC2)C1.
What is the InChIKey of N-(2,3-dimethylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is HBUBTXAZHPIUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11(2)12(3)9-15-13-4-6-17-14(8-13)5-7-16-10-14/h11-13,15H,4-10H2,1-3H3.
What are the key properties of N-(2,3-dimethylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine?
N-(2,3-dimethylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 241.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79903290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).