N-[(1-ethylcyclopentyl)methyl]-4,6-dimethyl-1,3-thiazinan-2-imine

C14H26N2S — CID 136964295

IUPACN-[(1-ethylcyclopentyl)methyl]-4,6-dimethyl-1,3-thiazinan-2-imine
SMILESCCC1(C/N=C2/NC(C)CC(C)S2)CCCC1
InChIInChI=1S/C14H26N2S/c1-4-14(7-5-6-8-14)10-15-13-16-11(2)9-12(3)17-13/h11-12H,4-10H2,1-3H3,(H,15,16)
InChIKeyPQVZIBZWTGLVOT-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.82
Rot. Bonds3

About N-[(1-ethylcyclopentyl)methyl]-4,6-dimethyl-1,3-thiazinan-2-imine

N-[(1-ethylcyclopentyl)methyl]-4,6-dimethyl-1,3-thiazinan-2-imine (PubChem CID 136964295) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is N-[(1-ethylcyclopentyl)methyl]-4,6-dimethyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-[(1-ethylcyclopentyl)methyl]-4,6-dimethyl-1,3-thiazinan-2-imine
PubChem CID136964295
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC NameN-[(1-ethylcyclopentyl)methyl]-4,6-dimethyl-1,3-thiazinan-2-imine
SMILESCCC1(C/N=C2/NC(C)CC(C)S2)CCCC1
InChIInChI=1S/C14H26N2S/c1-4-14(7-5-6-8-14)10-15-13-16-11(2)9-12(3)17-13/h11-12H,4-10H2,1-3H3,(H,15,16)
InChIKeyPQVZIBZWTGLVOT-UHFFFAOYSA-N
XLogP3.82
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,6-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine
CID 136879365
N-(cyclobutylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755277
N-(cyclohexylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755282
4-ethyl-N-[(1-ethylcyclopentyl)methyl]-1,3-thiazinan-2-imine
CID 136723626
N-(3,3-difluoropropyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 137216588
4-ethyl-N-[(1-ethylcyclopentyl)methyl]-4-methyl-1,3-thiazolidin-2-imine
CID 136964291
4,6-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazinan-2-imine
CID 136981204
N-[(1-ethylcyclobutyl)methyl]-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136747414
methyl 2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]acetate
CID 136755252
2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]-N-methylacetamide
CID 136755278
N-(2-ethyl-2-methylsulfanylbutyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136762649
N-[2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-ethylpropan-1-amine
CID 136666999

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopentyl)methyl]-4,6-dimethyl-1,3-thiazinan-2-imine?
The IUPAC name of N-[(1-ethylcyclopentyl)methyl]-4,6-dimethyl-1,3-thiazinan-2-imine (CID 136964295) is N-[(1-ethylcyclopentyl)methyl]-4,6-dimethyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-[(1-ethylcyclopentyl)methyl]-4,6-dimethyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-[(1-ethylcyclopentyl)methyl]-4,6-dimethyl-1,3-thiazinan-2-imine is CCC1(C/N=C2/NC(C)CC(C)S2)CCCC1.
What is the InChIKey of N-[(1-ethylcyclopentyl)methyl]-4,6-dimethyl-1,3-thiazinan-2-imine?
The InChIKey is PQVZIBZWTGLVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-4-14(7-5-6-8-14)10-15-13-16-11(2)9-12(3)17-13/h11-12H,4-10H2,1-3H3,(H,15,16).
What are the key properties of N-[(1-ethylcyclopentyl)methyl]-4,6-dimethyl-1,3-thiazinan-2-imine?
N-[(1-ethylcyclopentyl)methyl]-4,6-dimethyl-1,3-thiazinan-2-imine has a molecular weight of 254.44 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopentyl)methyl]-4,6-dimethyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136964295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).