N-[2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-ethylpropan-1-amine

C13H27N3S — CID 136666999

IUPACN-[2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-ethylpropan-1-amine
SMILESCCCN(CC)CC/N=C1/NC(C)CC(C)S1
InChIInChI=1S/C13H27N3S/c1-5-8-16(6-2)9-7-14-13-15-11(3)10-12(4)17-13/h11-12H,5-10H2,1-4H3,(H,14,15)
InChIKeyIWYBNVAWUXXSLX-UHFFFAOYSA-N
MW257.45 g/mol
LogP2.58
Rot. Bonds6

About N-[2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-ethylpropan-1-amine

N-[2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-ethylpropan-1-amine (PubChem CID 136666999) has the molecular formula C13H27N3S and a molecular weight of 257.45 g/mol. Its IUPAC name is N-[2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-ethylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-ethylpropan-1-amine
PubChem CID136666999
Molecular FormulaC13H27N3S
Molecular Weight257.45 g/mol
Exact Mass257.19
IUPAC NameN-[2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-ethylpropan-1-amine
SMILESCCCN(CC)CC/N=C1/NC(C)CC(C)S1
InChIInChI=1S/C13H27N3S/c1-5-8-16(6-2)9-7-14-13-15-11(3)10-12(4)17-13/h11-12H,5-10H2,1-4H3,(H,14,15)
InChIKeyIWYBNVAWUXXSLX-UHFFFAOYSA-N
XLogP2.58
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.45
LogP ≤ 52.58
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-(3,3-difluoropropyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 137216588
4,6-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazinan-2-imine
CID 137011044
N-(3-methoxypropyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755273
4,6-dimethyl-N-(7-methyloctyl)-1,3-thiazinan-2-imine
CID 136701837
4,6-dimethyl-N-(6-methylsulfanylhexyl)-1,3-thiazinan-2-imine
CID 136723694
N-(cyclobutylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755277
N-ethyl-N-[2-[[4-(2-methoxyethyl)-1,3-thiazolidin-2-ylidene]amino]ethyl]propan-1-amine
CID 137010948
4,6-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazinan-2-imine
CID 136981449
4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine
CID 136755275
N-[(1-ethylcyclopentyl)methyl]-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136964295
4,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine
CID 136819431
2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]-N-methylacetamide
CID 136755278

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-ethylpropan-1-amine?
The IUPAC name of N-[2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-ethylpropan-1-amine (CID 136666999) is N-[2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-ethylpropan-1-amine.
What is the SMILES notation for N-[2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-ethylpropan-1-amine?
The canonical SMILES for N-[2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-ethylpropan-1-amine is CCCN(CC)CC/N=C1/NC(C)CC(C)S1.
What is the InChIKey of N-[2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-ethylpropan-1-amine?
The InChIKey is IWYBNVAWUXXSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3S/c1-5-8-16(6-2)9-7-14-13-15-11(3)10-12(4)17-13/h11-12H,5-10H2,1-4H3,(H,14,15).
What are the key properties of N-[2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-ethylpropan-1-amine?
N-[2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-ethylpropan-1-amine has a molecular weight of 257.45 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-ethylpropan-1-amine is sourced from PubChem (CID 136666999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).