4-propan-2-yl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-thiazinan-2-imine

C17H30N2S — CID 136848311

IUPAC4-propan-2-yl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-thiazinan-2-imine
SMILESCC(C)C1CCS/C(=N\C2C3(C)CCC(C3)C2(C)C)N1
InChIInChI=1S/C17H30N2S/c1-11(2)13-7-9-20-15(18-13)19-14-16(3,4)12-6-8-17(14,5)10-12/h11-14H,6-10H2,1-5H3,(H,18,19)
InChIKeyBNLYZAOLMGQLKW-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.31
Rot. Bonds2

About 4-propan-2-yl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-thiazinan-2-imine

4-propan-2-yl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-thiazinan-2-imine (PubChem CID 136848311) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is 4-propan-2-yl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-propan-2-yl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-thiazinan-2-imine
PubChem CID136848311
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC Name4-propan-2-yl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-thiazinan-2-imine
SMILESCC(C)C1CCS/C(=N\C2C3(C)CCC(C3)C2(C)C)N1
InChIInChI=1S/C17H30N2S/c1-11(2)13-7-9-20-15(18-13)19-14-16(3,4)12-6-8-17(14,5)10-12/h11-14H,6-10H2,1-5H3,(H,18,19)
InChIKeyBNLYZAOLMGQLKW-UHFFFAOYSA-N
XLogP4.31
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-propan-2-yl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-thiazinan-2-imine?
The IUPAC name of 4-propan-2-yl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-thiazinan-2-imine (CID 136848311) is 4-propan-2-yl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-propan-2-yl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4-propan-2-yl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-thiazinan-2-imine is CC(C)C1CCS/C(=N\C2C3(C)CCC(C3)C2(C)C)N1.
What is the InChIKey of 4-propan-2-yl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-thiazinan-2-imine?
The InChIKey is BNLYZAOLMGQLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-11(2)13-7-9-20-15(18-13)19-14-16(3,4)12-6-8-17(14,5)10-12/h11-14H,6-10H2,1-5H3,(H,18,19).
What are the key properties of 4-propan-2-yl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-thiazinan-2-imine?
4-propan-2-yl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-thiazinan-2-imine has a molecular weight of 294.51 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 136848311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).