ethane;N-(2-methylpropyl)-1,4-dioxaspiro[4.5]decan-8-amine

C14H29NO2 — CID 91032668

IUPACethane;N-(2-methylpropyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCC.CC(C)CNC1CCC2(CC1)OCCO2
InChIInChI=1S/C12H23NO2.C2H6/c1-10(2)9-13-11-3-5-12(6-4-11)14-7-8-15-12;1-2/h10-11,13H,3-9H2,1-2H3;1-2H3
InChIKeyIRTNBUPPMDRKEQ-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.94
Rot. Bonds3

About ethane;N-(2-methylpropyl)-1,4-dioxaspiro[4.5]decan-8-amine

ethane;N-(2-methylpropyl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 91032668) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is ethane;N-(2-methylpropyl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Nameethane;N-(2-methylpropyl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID91032668
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Nameethane;N-(2-methylpropyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCC.CC(C)CNC1CCC2(CC1)OCCO2
InChIInChI=1S/C12H23NO2.C2H6/c1-10(2)9-13-11-3-5-12(6-4-11)14-7-8-15-12;1-2/h10-11,13H,3-9H2,1-2H3;1-2H3
InChIKeyIRTNBUPPMDRKEQ-UHFFFAOYSA-N
XLogP2.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1,4-dioxaspiro(4.5)decan-8-amine
CID 16786570
N-cyclohexyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 28424027
N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propan-2-ylpiperidin-4-amine
CID 28717076
N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propylpiperidin-4-amine
CID 28718139
(3R)-3-(1,4-dioxaspiro[4.5]decan-8-ylamino)butan-1-ol
CID 86793868
[2-(1,4-Dioxaspiro[4.5]dec-6-yl)ethyl]isopropylamine
CID 86002444
N-(2,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 24710506
N-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 63226092
N-(4,4,4-trifluorobutan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 103777802
N-(2,2,3,3-tetrafluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 106290128
N-(4,4,4-trifluorobutyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 113326905
N-[1-(trifluoromethyl)cyclopropyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 114158706

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-methylpropyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of ethane;N-(2-methylpropyl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 91032668) is ethane;N-(2-methylpropyl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for ethane;N-(2-methylpropyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for ethane;N-(2-methylpropyl)-1,4-dioxaspiro[4.5]decan-8-amine is CC.CC(C)CNC1CCC2(CC1)OCCO2.
What is the InChIKey of ethane;N-(2-methylpropyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is IRTNBUPPMDRKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2.C2H6/c1-10(2)9-13-11-3-5-12(6-4-11)14-7-8-15-12;1-2/h10-11,13H,3-9H2,1-2H3;1-2H3.
What are the key properties of ethane;N-(2-methylpropyl)-1,4-dioxaspiro[4.5]decan-8-amine?
ethane;N-(2-methylpropyl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 243.39 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methylpropyl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 91032668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).