N-(oxetan-3-yl)-1,4-dioxaspiro[4.4]nonan-8-amine

C10H17NO3 — CID 130609525

IUPACN-(oxetan-3-yl)-1,4-dioxaspiro[4.4]nonan-8-amine
SMILESC1COC2(CCC(NC3COC3)C2)O1
InChIInChI=1S/C10H17NO3/c1-2-10(13-3-4-14-10)5-8(1)11-9-6-12-7-9/h8-9,11H,1-7H2
InChIKeyBPFKAMBGFSVKLB-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.27
Rot. Bonds2

About N-(oxetan-3-yl)-1,4-dioxaspiro[4.4]nonan-8-amine

N-(oxetan-3-yl)-1,4-dioxaspiro[4.4]nonan-8-amine (PubChem CID 130609525) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-(oxetan-3-yl)-1,4-dioxaspiro[4.4]nonan-8-amine.

Molecular Properties

Compound NameN-(oxetan-3-yl)-1,4-dioxaspiro[4.4]nonan-8-amine
PubChem CID130609525
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC NameN-(oxetan-3-yl)-1,4-dioxaspiro[4.4]nonan-8-amine
SMILESC1COC2(CCC(NC3COC3)C2)O1
InChIInChI=1S/C10H17NO3/c1-2-10(13-3-4-14-10)5-8(1)11-9-6-12-7-9/h8-9,11H,1-7H2
InChIKeyBPFKAMBGFSVKLB-UHFFFAOYSA-N
XLogP0.27
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,4-dioxaspiro[4.4]nonan-8-ylamino)oxolan-2-one
CID 131160483
N-(2-ethylcyclobutyl)-1,4-dioxaspiro[4.4]nonan-8-amine
CID 130670326
N-(2,2-dimethyloxan-4-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 83033541
N-(cyclopentylmethyl)-1,4-dioxaspiro[4.4]nonan-8-amine
CID 130709610
N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897682
N-(oxan-3-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903513
(8R)-1,4-dioxaspiro[4.4]nonan-8-amine
CID 95431886
N-(4-methylcycloheptyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 102795154
N-cycloheptyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897814
N-(3,3-dimethylcyclopentyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 104585245
N-(1,4-dioxaspiro[4.4]nonan-8-yl)-2-(methylamino)acetamide
CID 130905377
N-(oxan-3-yl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903430

Frequently Asked Questions

What is the IUPAC name of N-(oxetan-3-yl)-1,4-dioxaspiro[4.4]nonan-8-amine?
The IUPAC name of N-(oxetan-3-yl)-1,4-dioxaspiro[4.4]nonan-8-amine (CID 130609525) is N-(oxetan-3-yl)-1,4-dioxaspiro[4.4]nonan-8-amine.
What is the SMILES notation for N-(oxetan-3-yl)-1,4-dioxaspiro[4.4]nonan-8-amine?
The canonical SMILES for N-(oxetan-3-yl)-1,4-dioxaspiro[4.4]nonan-8-amine is C1COC2(CCC(NC3COC3)C2)O1.
What is the InChIKey of N-(oxetan-3-yl)-1,4-dioxaspiro[4.4]nonan-8-amine?
The InChIKey is BPFKAMBGFSVKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-10(13-3-4-14-10)5-8(1)11-9-6-12-7-9/h8-9,11H,1-7H2.
What are the key properties of N-(oxetan-3-yl)-1,4-dioxaspiro[4.4]nonan-8-amine?
N-(oxetan-3-yl)-1,4-dioxaspiro[4.4]nonan-8-amine has a molecular weight of 199.25 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxetan-3-yl)-1,4-dioxaspiro[4.4]nonan-8-amine is sourced from PubChem (CID 130609525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).