1-[[(4-tert-butyl-1,3-thiazinan-2-ylidene)amino]methyl]-N,N-dimethylcyclobutan-1-amine

C15H29N3S — CID 136848488

IUPAC1-[[(4-tert-butyl-1,3-thiazinan-2-ylidene)amino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(C)C1(C/N=C2/NC(C(C)(C)C)CCS2)CCC1
InChIInChI=1S/C15H29N3S/c1-14(2,3)12-7-10-19-13(17-12)16-11-15(18(4)5)8-6-9-15/h12H,6-11H2,1-5H3,(H,16,17)
InChIKeyZIAVHNZSSGTORR-UHFFFAOYSA-N
MW283.48 g/mol
LogP2.97
Rot. Bonds3

About 1-[[(4-tert-butyl-1,3-thiazinan-2-ylidene)amino]methyl]-N,N-dimethylcyclobutan-1-amine

1-[[(4-tert-butyl-1,3-thiazinan-2-ylidene)amino]methyl]-N,N-dimethylcyclobutan-1-amine (PubChem CID 136848488) has the molecular formula C15H29N3S and a molecular weight of 283.48 g/mol. Its IUPAC name is 1-[[(4-tert-butyl-1,3-thiazinan-2-ylidene)amino]methyl]-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[[(4-tert-butyl-1,3-thiazinan-2-ylidene)amino]methyl]-N,N-dimethylcyclobutan-1-amine
PubChem CID136848488
Molecular FormulaC15H29N3S
Molecular Weight283.48 g/mol
Exact Mass283.21
IUPAC Name1-[[(4-tert-butyl-1,3-thiazinan-2-ylidene)amino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(C)C1(C/N=C2/NC(C(C)(C)C)CCS2)CCC1
InChIInChI=1S/C15H29N3S/c1-14(2,3)12-7-10-19-13(17-12)16-11-15(18(4)5)8-6-9-15/h12H,6-11H2,1-5H3,(H,16,17)
InChIKeyZIAVHNZSSGTORR-UHFFFAOYSA-N
XLogP2.97
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 52.97
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

4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]-1,3-thiazinan-2-imine
CID 136993429
1-[(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 136747265
4-tert-butyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazinan-2-imine
CID 136848441
4-tert-butyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine
CID 136848611
4-tert-butyl-N-(4,4,4-trifluorobutyl)-1,3-thiazinan-2-imine
CID 136993393
4-tert-butyl-N-(5-methylhexyl)-1,3-thiazinan-2-imine
CID 136848377
1-[[(4-ethyl-4-methyl-1,3-thiazolidin-2-ylidene)amino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 136780751
4-tert-butyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine
CID 136848036
4-tert-butyl-N-[(2-methylphenyl)methyl]-1,3-thiazinan-2-imine
CID 136848101
4-tert-butyl-N-[(5-chlorothiophen-2-yl)methyl]-1,3-thiazinan-2-imine
CID 136993375
4-tert-butyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine
CID 136848061
4-tert-butyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazinan-2-imine
CID 136848612

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-tert-butyl-1,3-thiazinan-2-ylidene)amino]methyl]-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 1-[[(4-tert-butyl-1,3-thiazinan-2-ylidene)amino]methyl]-N,N-dimethylcyclobutan-1-amine (CID 136848488) is 1-[[(4-tert-butyl-1,3-thiazinan-2-ylidene)amino]methyl]-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-[[(4-tert-butyl-1,3-thiazinan-2-ylidene)amino]methyl]-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-[[(4-tert-butyl-1,3-thiazinan-2-ylidene)amino]methyl]-N,N-dimethylcyclobutan-1-amine is CN(C)C1(C/N=C2/NC(C(C)(C)C)CCS2)CCC1.
What is the InChIKey of 1-[[(4-tert-butyl-1,3-thiazinan-2-ylidene)amino]methyl]-N,N-dimethylcyclobutan-1-amine?
The InChIKey is ZIAVHNZSSGTORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3S/c1-14(2,3)12-7-10-19-13(17-12)16-11-15(18(4)5)8-6-9-15/h12H,6-11H2,1-5H3,(H,16,17).
What are the key properties of 1-[[(4-tert-butyl-1,3-thiazinan-2-ylidene)amino]methyl]-N,N-dimethylcyclobutan-1-amine?
1-[[(4-tert-butyl-1,3-thiazinan-2-ylidene)amino]methyl]-N,N-dimethylcyclobutan-1-amine has a molecular weight of 283.48 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-tert-butyl-1,3-thiazinan-2-ylidene)amino]methyl]-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 136848488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).