N-methyl-N-[1-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propan-2-yl]cyclopropanamine

C14H25N3OS — CID 136730454

IUPACN-methyl-N-[1-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propan-2-yl]cyclopropanamine
SMILESCC(C/N=C1/NC2(CCOCC2)CS1)N(C)C1CC1
InChIInChI=1S/C14H25N3OS/c1-11(17(2)12-3-4-12)9-15-13-16-14(10-19-13)5-7-18-8-6-14/h11-12H,3-10H2,1-2H3,(H,15,16)
InChIKeyGDIHTWUWPYOJBF-UHFFFAOYSA-N
MW283.44 g/mol
LogP1.71
Rot. Bonds4

About N-methyl-N-[1-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propan-2-yl]cyclopropanamine

N-methyl-N-[1-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propan-2-yl]cyclopropanamine (PubChem CID 136730454) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-methyl-N-[1-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propan-2-yl]cyclopropanamine.

Molecular Properties

Compound NameN-methyl-N-[1-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propan-2-yl]cyclopropanamine
PubChem CID136730454
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC NameN-methyl-N-[1-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propan-2-yl]cyclopropanamine
SMILESCC(C/N=C1/NC2(CCOCC2)CS1)N(C)C1CC1
InChIInChI=1S/C14H25N3OS/c1-11(17(2)12-3-4-12)9-15-13-16-14(10-19-13)5-7-18-8-6-14/h11-12H,3-10H2,1-2H3,(H,15,16)
InChIKeyGDIHTWUWPYOJBF-UHFFFAOYSA-N
XLogP1.71
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]propan-2-yl]-N-methylcyclopropanamine
CID 136666975
N-[1-[(4-ethyl-4-methyl-1,3-thiazolidin-2-ylidene)amino]propan-2-yl]-N-methylcyclopropanamine
CID 136666974
N-pentan-3-yl-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819447
N-[(2-methylcyclopentyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136730395
N-(1-cyclopropylbutan-2-yl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819704
N-(1-cyclopropylethyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819509
N-(5-methylhexyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819771
N-[3-(2-methylpropoxy)propyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136730403
N-(3-ethoxypropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819488
N-[(1-methylpyrrolidin-3-yl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819525
N-(4-propan-2-yloxybutyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136730458
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-methyl-N-[1-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propan-2-yl]cyclopropanamine?
The IUPAC name of N-methyl-N-[1-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propan-2-yl]cyclopropanamine (CID 136730454) is N-methyl-N-[1-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propan-2-yl]cyclopropanamine.
What is the SMILES notation for N-methyl-N-[1-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propan-2-yl]cyclopropanamine?
The canonical SMILES for N-methyl-N-[1-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propan-2-yl]cyclopropanamine is CC(C/N=C1/NC2(CCOCC2)CS1)N(C)C1CC1.
What is the InChIKey of N-methyl-N-[1-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propan-2-yl]cyclopropanamine?
The InChIKey is GDIHTWUWPYOJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-11(17(2)12-3-4-12)9-15-13-16-14(10-19-13)5-7-18-8-6-14/h11-12H,3-10H2,1-2H3,(H,15,16).
What are the key properties of N-methyl-N-[1-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propan-2-yl]cyclopropanamine?
N-methyl-N-[1-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propan-2-yl]cyclopropanamine has a molecular weight of 283.44 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propan-2-yl]cyclopropanamine is sourced from PubChem (CID 136730454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).