N-(3-ethyl-2-methylcyclopentyl)-4,5-dimethyl-1,3-thiazinan-2-imine

C14H26N2S — CID 137002769

IUPACN-(3-ethyl-2-methylcyclopentyl)-4,5-dimethyl-1,3-thiazinan-2-imine
SMILESCCC1CCC(/N=C2/NC(C)C(C)CS2)C1C
InChIInChI=1S/C14H26N2S/c1-5-12-6-7-13(10(12)3)16-14-15-11(4)9(2)8-17-14/h9-13H,5-8H2,1-4H3,(H,15,16)
InChIKeyHHMGYMAUSRJGOF-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.53
Rot. Bonds2

About N-(3-ethyl-2-methylcyclopentyl)-4,5-dimethyl-1,3-thiazinan-2-imine

N-(3-ethyl-2-methylcyclopentyl)-4,5-dimethyl-1,3-thiazinan-2-imine (PubChem CID 137002769) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is N-(3-ethyl-2-methylcyclopentyl)-4,5-dimethyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-(3-ethyl-2-methylcyclopentyl)-4,5-dimethyl-1,3-thiazinan-2-imine
PubChem CID137002769
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC NameN-(3-ethyl-2-methylcyclopentyl)-4,5-dimethyl-1,3-thiazinan-2-imine
SMILESCCC1CCC(/N=C2/NC(C)C(C)CS2)C1C
InChIInChI=1S/C14H26N2S/c1-5-12-6-7-13(10(12)3)16-14-15-11(4)9(2)8-17-14/h9-13H,5-8H2,1-4H3,(H,15,16)
InChIKeyHHMGYMAUSRJGOF-UHFFFAOYSA-N
XLogP3.53
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.53
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

N-(2-ethylbutyl)-4,5-dimethyl-1,3-thiazinan-2-imine
CID 136960712
N-[(2-ethyloxolan-3-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine
CID 137004943
4,5-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazinan-2-imine
CID 136948828
N-(2,2-difluoropropyl)-4,5-dimethyl-1,3-thiazinan-2-imine
CID 164654580
4,5-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine
CID 136879360
N-(2,2-dimethylcyclopentyl)-4,5-dimethyl-1,3-thiazinan-2-imine
CID 136948856
4,5-dimethyl-N-(thiolan-2-ylmethyl)-1,3-thiazinan-2-imine
CID 136948867
N-[(4-bromothiophen-2-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine
CID 136948835
4-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]-N,N-dimethylbutan-1-amine
CID 136948772
N-(2,3-dimethylcyclohexyl)-4-ethyl-1,3-thiazinan-2-imine
CID 136933197
N-[2-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-methylpropan-2-amine
CID 136948792
4,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazinan-2-imine
CID 136948806

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-4,5-dimethyl-1,3-thiazinan-2-imine?
The IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-4,5-dimethyl-1,3-thiazinan-2-imine (CID 137002769) is N-(3-ethyl-2-methylcyclopentyl)-4,5-dimethyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-(3-ethyl-2-methylcyclopentyl)-4,5-dimethyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-(3-ethyl-2-methylcyclopentyl)-4,5-dimethyl-1,3-thiazinan-2-imine is CCC1CCC(/N=C2/NC(C)C(C)CS2)C1C.
What is the InChIKey of N-(3-ethyl-2-methylcyclopentyl)-4,5-dimethyl-1,3-thiazinan-2-imine?
The InChIKey is HHMGYMAUSRJGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-5-12-6-7-13(10(12)3)16-14-15-11(4)9(2)8-17-14/h9-13H,5-8H2,1-4H3,(H,15,16).
What are the key properties of N-(3-ethyl-2-methylcyclopentyl)-4,5-dimethyl-1,3-thiazinan-2-imine?
N-(3-ethyl-2-methylcyclopentyl)-4,5-dimethyl-1,3-thiazinan-2-imine has a molecular weight of 254.44 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-methylcyclopentyl)-4,5-dimethyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 137002769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).