N-cyclopentyloxy-2,6-dioxaspiro[4.5]decan-9-amine

C13H23NO3 — CID 83229706

IUPACN-cyclopentyloxy-2,6-dioxaspiro[4.5]decan-9-amine
SMILESC1CCC(ONC2CCOC3(CCOC3)C2)C1
InChIInChI=1S/C13H23NO3/c1-2-4-12(3-1)17-14-11-5-7-16-13(9-11)6-8-15-10-13/h11-12,14H,1-10H2
InChIKeyVYJFBNYSTVZEHV-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.79
Rot. Bonds3

About N-cyclopentyloxy-2,6-dioxaspiro[4.5]decan-9-amine

N-cyclopentyloxy-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 83229706) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-cyclopentyloxy-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-cyclopentyloxy-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID83229706
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC NameN-cyclopentyloxy-2,6-dioxaspiro[4.5]decan-9-amine
SMILESC1CCC(ONC2CCOC3(CCOC3)C2)C1
InChIInChI=1S/C13H23NO3/c1-2-4-12(3-1)17-14-11-5-7-16-13(9-11)6-8-15-10-13/h11-12,14H,1-10H2
InChIKeyVYJFBNYSTVZEHV-UHFFFAOYSA-N
XLogP1.79
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyloxy-5-oxaspiro[3.5]nonan-8-amine
CID 83236499
N-(cyclohexylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898486
N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898440
N-[(1S)-1-cyclohexylethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 81384866
N-(oxan-3-yl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903430
N-(dicyclopropylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895513
N-cycloheptyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897814
N-(3-ethylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903293
N-(2-methylsulfanylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 103907294
N'-cyclopentyl-N-(2,6-dioxaspiro[4.5]decan-9-yl)-N'-methylethane-1,2-diamine
CID 79903270
N-(3-methoxypropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898117
[1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]cyclopentyl]methanol
CID 115359651

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-cyclopentyloxy-2,6-dioxaspiro[4.5]decan-9-amine (CID 83229706) is N-cyclopentyloxy-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-cyclopentyloxy-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-cyclopentyloxy-2,6-dioxaspiro[4.5]decan-9-amine is C1CCC(ONC2CCOC3(CCOC3)C2)C1.
What is the InChIKey of N-cyclopentyloxy-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is VYJFBNYSTVZEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-2-4-12(3-1)17-14-11-5-7-16-13(9-11)6-8-15-10-13/h11-12,14H,1-10H2.
What are the key properties of N-cyclopentyloxy-2,6-dioxaspiro[4.5]decan-9-amine?
N-cyclopentyloxy-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 241.33 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 83229706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).