3-(1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-ylideneamino)-N,N,2,2-tetramethylpropan-1-amine

C15H29N3S — CID 136746870

IUPAC3-(1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-ylideneamino)-N,N,2,2-tetramethylpropan-1-amine
SMILESCN(C)CC(C)(C)C/N=C1/NC2CCCCC2CS1
InChIInChI=1S/C15H29N3S/c1-15(2,11-18(3)4)10-16-14-17-13-8-6-5-7-12(13)9-19-14/h12-13H,5-11H2,1-4H3,(H,16,17)
InChIKeyFBLKJLVBPBWJCZ-UHFFFAOYSA-N
MW283.48 g/mol
LogP2.83
Rot. Bonds4

About 3-(1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-ylideneamino)-N,N,2,2-tetramethylpropan-1-amine

3-(1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-ylideneamino)-N,N,2,2-tetramethylpropan-1-amine (PubChem CID 136746870) has the molecular formula C15H29N3S and a molecular weight of 283.48 g/mol. Its IUPAC name is 3-(1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-ylideneamino)-N,N,2,2-tetramethylpropan-1-amine.

Molecular Properties

Compound Name3-(1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-ylideneamino)-N,N,2,2-tetramethylpropan-1-amine
PubChem CID136746870
Molecular FormulaC15H29N3S
Molecular Weight283.48 g/mol
Exact Mass283.21
IUPAC Name3-(1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-ylideneamino)-N,N,2,2-tetramethylpropan-1-amine
SMILESCN(C)CC(C)(C)C/N=C1/NC2CCCCC2CS1
InChIInChI=1S/C15H29N3S/c1-15(2,11-18(3)4)10-16-14-17-13-8-6-5-7-12(13)9-19-14/h12-13H,5-11H2,1-4H3,(H,16,17)
InChIKeyFBLKJLVBPBWJCZ-UHFFFAOYSA-N
XLogP2.83
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-ylideneamino)-N,N,2,2-tetramethylpropan-1-amine?
The IUPAC name of 3-(1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-ylideneamino)-N,N,2,2-tetramethylpropan-1-amine (CID 136746870) is 3-(1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-ylideneamino)-N,N,2,2-tetramethylpropan-1-amine.
What is the SMILES notation for 3-(1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-ylideneamino)-N,N,2,2-tetramethylpropan-1-amine?
The canonical SMILES for 3-(1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-ylideneamino)-N,N,2,2-tetramethylpropan-1-amine is CN(C)CC(C)(C)C/N=C1/NC2CCCCC2CS1.
What is the InChIKey of 3-(1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-ylideneamino)-N,N,2,2-tetramethylpropan-1-amine?
The InChIKey is FBLKJLVBPBWJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3S/c1-15(2,11-18(3)4)10-16-14-17-13-8-6-5-7-12(13)9-19-14/h12-13H,5-11H2,1-4H3,(H,16,17).
What are the key properties of 3-(1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-ylideneamino)-N,N,2,2-tetramethylpropan-1-amine?
3-(1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-ylideneamino)-N,N,2,2-tetramethylpropan-1-amine has a molecular weight of 283.48 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-ylideneamino)-N,N,2,2-tetramethylpropan-1-amine is sourced from PubChem (CID 136746870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).