N-pent-4-ynyl-1,4-dioxaspiro[4.5]decan-8-amine

C13H21NO2 — CID 104924934

IUPACN-pent-4-ynyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESC#CCCCNC1CCC2(CC1)OCCO2
InChIInChI=1S/C13H21NO2/c1-2-3-4-9-14-12-5-7-13(8-6-12)15-10-11-16-13/h1,12,14H,3-11H2
InChIKeyBYFYRRWWSSGYKU-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.68
Rot. Bonds4

About N-pent-4-ynyl-1,4-dioxaspiro[4.5]decan-8-amine

N-pent-4-ynyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 104924934) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-pent-4-ynyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-pent-4-ynyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID104924934
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-pent-4-ynyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESC#CCCCNC1CCC2(CC1)OCCO2
InChIInChI=1S/C13H21NO2/c1-2-3-4-9-14-12-5-7-13(8-6-12)15-10-11-16-13/h1,12,14H,3-11H2
InChIKeyBYFYRRWWSSGYKU-UHFFFAOYSA-N
XLogP1.68
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', '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
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
N-(2-fluoroethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 130478131
N-(2,2-difluoropropyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 131208970
N-propyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 11820081

Frequently Asked Questions

What is the IUPAC name of N-pent-4-ynyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-pent-4-ynyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 104924934) is N-pent-4-ynyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-pent-4-ynyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-pent-4-ynyl-1,4-dioxaspiro[4.5]decan-8-amine is C#CCCCNC1CCC2(CC1)OCCO2.
What is the InChIKey of N-pent-4-ynyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is BYFYRRWWSSGYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-2-3-4-9-14-12-5-7-13(8-6-12)15-10-11-16-13/h1,12,14H,3-11H2.
What are the key properties of N-pent-4-ynyl-1,4-dioxaspiro[4.5]decan-8-amine?
N-pent-4-ynyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 223.32 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-ynyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 104924934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).