N-[3-(2-methylpropoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine

C15H29NO3 — CID 28681811

IUPACN-[3-(2-methylpropoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCC(C)COCCCNC1CCC2(CC1)OCCO2
InChIInChI=1S/C15H29NO3/c1-13(2)12-17-9-3-8-16-14-4-6-15(7-5-14)18-10-11-19-15/h13-14,16H,3-12H2,1-2H3
InChIKeyMOJICOVGECMRTG-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.32
Rot. Bonds7

About N-[3-(2-methylpropoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine

N-[3-(2-methylpropoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 28681811) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[3-(2-methylpropoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[3-(2-methylpropoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID28681811
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC NameN-[3-(2-methylpropoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCC(C)COCCCNC1CCC2(CC1)OCCO2
InChIInChI=1S/C15H29NO3/c1-13(2)12-17-9-3-8-16-14-4-6-15(7-5-14)18-10-11-19-15/h13-14,16H,3-12H2,1-2H3
InChIKeyMOJICOVGECMRTG-UHFFFAOYSA-N
XLogP2.32
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
(3R)-3-(1,4-dioxaspiro[4.5]decan-8-ylamino)butan-1-ol
CID 86793868
6,9-Dimethyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 13860594
[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-(2,2-difluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 115405683
N-(5,5,5-trifluoropentyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 115516969

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-[3-(2-methylpropoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine (CID 28681811) is N-[3-(2-methylpropoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-[3-(2-methylpropoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-[3-(2-methylpropoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine is CC(C)COCCCNC1CCC2(CC1)OCCO2.
What is the InChIKey of N-[3-(2-methylpropoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is MOJICOVGECMRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-13(2)12-17-9-3-8-16-14-4-6-15(7-5-14)18-10-11-19-15/h13-14,16H,3-12H2,1-2H3.
What are the key properties of N-[3-(2-methylpropoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine?
N-[3-(2-methylpropoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 271.40 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 28681811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).