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

C11H21NO2 — CID 11820081

IUPACN-propyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCCNC1CCC2(CC1)OCCO2
InChIInChI=1S/C11H21NO2/c1-2-7-12-10-3-5-11(6-4-10)13-8-9-14-11/h10,12H,2-9H2,1H3
InChIKeyCJRLLVNMKDWKPT-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.67
Rot. Bonds3

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

N-propyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 11820081) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-propyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-propyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID11820081
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-propyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCCNC1CCC2(CC1)OCCO2
InChIInChI=1S/C11H21NO2/c1-2-7-12-10-3-5-11(6-4-10)13-8-9-14-11/h10,12H,2-9H2,1H3
InChIKeyCJRLLVNMKDWKPT-UHFFFAOYSA-N
XLogP1.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-propyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 11820081) is N-propyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-propyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-propyl-1,4-dioxaspiro[4.5]decan-8-amine is CCCNC1CCC2(CC1)OCCO2.
What is the InChIKey of N-propyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is CJRLLVNMKDWKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-7-12-10-3-5-11(6-4-10)13-8-9-14-11/h10,12H,2-9H2,1H3.
What are the key properties of N-propyl-1,4-dioxaspiro[4.5]decan-8-amine?
N-propyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 199.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 11820081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).