N-(3-morpholin-4-ylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine

C15H28N2O3 — CID 79897668

IUPACN-(3-morpholin-4-ylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESC(CNC1CCOC2(CCOC2)C1)CN1CCOCC1
InChIInChI=1S/C15H28N2O3/c1(5-17-6-10-18-11-7-17)4-16-14-2-8-20-15(12-14)3-9-19-13-15/h14,16H,1-13H2
InChIKeyDUXIWPBXMMJCON-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.64
Rot. Bonds5

About N-(3-morpholin-4-ylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine

N-(3-morpholin-4-ylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 79897668) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID79897668
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC NameN-(3-morpholin-4-ylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESC(CNC1CCOC2(CCOC2)C1)CN1CCOCC1
InChIInChI=1S/C15H28N2O3/c1(5-17-6-10-18-11-7-17)4-16-14-2-8-20-15(12-14)3-9-19-13-15/h14,16H,1-13H2
InChIKeyDUXIWPBXMMJCON-UHFFFAOYSA-N
XLogP0.64
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-morpholin-4-ylpropyl)oxan-4-amine
CID 18349139
N-(3-methoxypropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898117
N-(2-methylsulfanylethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79904121
N-cyclopropyl-4-(2,6-dioxaspiro[4.5]decan-9-ylamino)butanamide
CID 79903932
(4S)-N-(3-imidazol-1-ylpropyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96579257
N-[3-(2,6-dioxaspiro[4.5]decan-9-ylamino)propyl]-N-ethylmethanesulfonamide
CID 79902853
N-(4-methoxybutyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79894953
N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898440
N-(cyclohexylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898486
N'-cyclopentyl-N-(2,6-dioxaspiro[4.5]decan-9-yl)-N'-methylethane-1,2-diamine
CID 79903270
N-(2,3-dimethylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903290
N-(2-pyrrolidin-1-ylethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79903880

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine (CID 79897668) is N-(3-morpholin-4-ylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine is C(CNC1CCOC2(CCOC2)C1)CN1CCOCC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is DUXIWPBXMMJCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1(5-17-6-10-18-11-7-17)4-16-14-2-8-20-15(12-14)3-9-19-13-15/h14,16H,1-13H2.
What are the key properties of N-(3-morpholin-4-ylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine?
N-(3-morpholin-4-ylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 284.40 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79897668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).