N-(3-propoxypropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine

C14H26N2OS — CID 82943872

IUPACN-(3-propoxypropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
SMILESCCCOCCCNC1=NCC2(CCCC2)CS1
InChIInChI=1S/C14H26N2OS/c1-2-9-17-10-5-8-15-13-16-11-14(12-18-13)6-3-4-7-14/h2-12H2,1H3,(H,15,16)
InChIKeyLFSWIDWOOIMVMU-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.06
Rot. Bonds6

About N-(3-propoxypropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine

N-(3-propoxypropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine (PubChem CID 82943872) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-(3-propoxypropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine.

Molecular Properties

Compound NameN-(3-propoxypropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
PubChem CID82943872
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-(3-propoxypropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
SMILESCCCOCCCNC1=NCC2(CCCC2)CS1
InChIInChI=1S/C14H26N2OS/c1-2-9-17-10-5-8-15-13-16-11-14(12-18-13)6-3-4-7-14/h2-12H2,1H3,(H,15,16)
InChIKeyLFSWIDWOOIMVMU-UHFFFAOYSA-N
XLogP3.06
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-propoxypropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The IUPAC name of N-(3-propoxypropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine (CID 82943872) is N-(3-propoxypropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine.
What is the SMILES notation for N-(3-propoxypropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The canonical SMILES for N-(3-propoxypropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine is CCCOCCCNC1=NCC2(CCCC2)CS1.
What is the InChIKey of N-(3-propoxypropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The InChIKey is LFSWIDWOOIMVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-2-9-17-10-5-8-15-13-16-11-14(12-18-13)6-3-4-7-14/h2-12H2,1H3,(H,15,16).
What are the key properties of N-(3-propoxypropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
N-(3-propoxypropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine has a molecular weight of 270.44 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propoxypropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine is sourced from PubChem (CID 82943872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).