N-pentan-3-yl-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine

C12H22N2OS — CID 136819447

IUPACN-pentan-3-yl-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCCC(CC)/N=C1/NC2(CCOCC2)CS1
InChIInChI=1S/C12H22N2OS/c1-3-10(4-2)13-11-14-12(9-16-11)5-7-15-8-6-12/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyBEAWZIXTTRYHHU-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.42
Rot. Bonds3

About N-pentan-3-yl-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine

N-pentan-3-yl-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine (PubChem CID 136819447) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-pentan-3-yl-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine.

Molecular Properties

Compound NameN-pentan-3-yl-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
PubChem CID136819447
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-pentan-3-yl-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCCC(CC)/N=C1/NC2(CCOCC2)CS1
InChIInChI=1S/C12H22N2OS/c1-3-10(4-2)13-11-14-12(9-16-11)5-7-15-8-6-12/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyBEAWZIXTTRYHHU-UHFFFAOYSA-N
XLogP2.42
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyclopropylbutan-2-yl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819704
N-octan-2-yl-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819558
N-(1-cyclopropylethyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819509
N-methyl-N-[1-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propan-2-yl]cyclopropanamine
CID 136730454
N-[1-(4-chlorophenyl)ethyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819571
methyl 2-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanoate
CID 137003252
N-(5-methylhexyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819771
N-[1-(2,4-dichlorophenyl)ethyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819437
N-(3-methylpentan-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 135977178
N-(2,2-dimethylcyclopropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819626
N-(3-ethoxypropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819488
N-(2-ethoxy-2-methylpropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136730382

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The IUPAC name of N-pentan-3-yl-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine (CID 136819447) is N-pentan-3-yl-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine.
What is the SMILES notation for N-pentan-3-yl-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The canonical SMILES for N-pentan-3-yl-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine is CCC(CC)/N=C1/NC2(CCOCC2)CS1.
What is the InChIKey of N-pentan-3-yl-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The InChIKey is BEAWZIXTTRYHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-3-10(4-2)13-11-14-12(9-16-11)5-7-15-8-6-12/h10H,3-9H2,1-2H3,(H,13,14).
What are the key properties of N-pentan-3-yl-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
N-pentan-3-yl-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine has a molecular weight of 242.39 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine is sourced from PubChem (CID 136819447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).