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

C12H23NO3 — CID 79898117

IUPACN-(3-methoxypropyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCOCCCNC1CCOC2(CCOC2)C1
InChIInChI=1S/C12H23NO3/c1-14-6-2-5-13-11-3-7-16-12(9-11)4-8-15-10-12/h11,13H,2-10H2,1H3
InChIKeySIZUBIUTEALJRP-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.95
Rot. Bonds5

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

N-(3-methoxypropyl)-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 79898117) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID79898117
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC NameN-(3-methoxypropyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCOCCCNC1CCOC2(CCOC2)C1
InChIInChI=1S/C12H23NO3/c1-14-6-2-5-13-11-3-7-16-12(9-11)4-8-15-10-12/h11,13H,2-10H2,1H3
InChIKeySIZUBIUTEALJRP-UHFFFAOYSA-N
XLogP0.95
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.95
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-(4-methoxybutyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79894953
N-[2-(2-methoxyethoxy)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79895389
N-(2,6-dioxaspiro[4.5]decan-9-yl)-N',N'-dimethylbutane-1,4-diamine
CID 79895176
N-(2-methylsulfanylethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79904121
N-[2-(3-methylbutoxy)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895677
N-(3-morpholin-4-ylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897668
N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898440
N-cyclopropyl-4-(2,6-dioxaspiro[4.5]decan-9-ylamino)butanamide
CID 79903932
N-[3-(2,6-dioxaspiro[4.5]decan-9-ylamino)propyl]-N-ethylmethanesulfonamide
CID 79902853
N-(cyclohexylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898486
N-(3-propoxypropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 82941325
N'-cyclopentyl-N-(2,6-dioxaspiro[4.5]decan-9-yl)-N'-methylethane-1,2-diamine
CID 79903270

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(3-methoxypropyl)-2,6-dioxaspiro[4.5]decan-9-amine (CID 79898117) is N-(3-methoxypropyl)-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(3-methoxypropyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(3-methoxypropyl)-2,6-dioxaspiro[4.5]decan-9-amine is COCCCNC1CCOC2(CCOC2)C1.
What is the InChIKey of N-(3-methoxypropyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is SIZUBIUTEALJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-14-6-2-5-13-11-3-7-16-12(9-11)4-8-15-10-12/h11,13H,2-10H2,1H3.
What are the key properties of N-(3-methoxypropyl)-2,6-dioxaspiro[4.5]decan-9-amine?
N-(3-methoxypropyl)-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 229.32 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79898117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).