8-methyl-N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine

C16H30N2S — CID 167191017

IUPAC8-methyl-N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine
SMILESCC1CCCCC2C(C1)S/C(=N\C(C)C)N2C(C)C
InChIInChI=1S/C16H30N2S/c1-11(2)17-16-18(12(3)4)14-9-7-6-8-13(5)10-15(14)19-16/h11-15H,6-10H2,1-5H3/b17-16-
InChIKeyDFABJSXBFHCZRE-MSUUIHNZSA-N
MW282.50 g/mol
LogP4.55
Rot. Bonds2

About 8-methyl-N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine

8-methyl-N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine (PubChem CID 167191017) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is 8-methyl-N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine.

Molecular Properties

Compound Name8-methyl-N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine
PubChem CID167191017
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC Name8-methyl-N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine
SMILESCC1CCCCC2C(C1)S/C(=N\C(C)C)N2C(C)C
InChIInChI=1S/C16H30N2S/c1-11(2)17-16-18(12(3)4)14-9-7-6-8-13(5)10-15(14)19-16/h11-15H,6-10H2,1-5H3/b17-16-
InChIKeyDFABJSXBFHCZRE-MSUUIHNZSA-N
XLogP4.55
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-methyl-N,3-di(propan-2-yl)-4,5,6,7,8,9,10,10a-octahydro-3aH-cyclonona[d][1,3]thiazol-2-imine
CID 138727563
CID 147424819
CID 147424819
N,3,7-trimethyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]thiazol-2-imine
CID 155448831
N,3-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine
CID 155448857
3,5,9-Trimethyl-8-thia-2,6-diazatricyclo[7.6.0.02,7]pentadec-6-ene
CID 166733166
(9aS)-N,3-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine
CID 167109729
N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine
CID 167242586
9-iodo-9-methyl-N,3-di(propan-2-yl)-3a,4,5,6,7,8,10,10a-octahydrocyclonona[d][1,3]thiazol-2-imine
CID 169679992
11-methyl-N,3-di(propan-2-yl)-4,5,6,7,8,9,10,11,12,12a-decahydro-3aH-cycloundeca[d][1,3]thiazol-2-imine
CID 169698041
CID 173810011
CID 173810011
CID 173965248
CID 173965248
CID 173968717
CID 173968717

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine?
The IUPAC name of 8-methyl-N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine (CID 167191017) is 8-methyl-N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine.
What is the SMILES notation for 8-methyl-N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine?
The canonical SMILES for 8-methyl-N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine is CC1CCCCC2C(C1)S/C(=N\C(C)C)N2C(C)C.
What is the InChIKey of 8-methyl-N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine?
The InChIKey is DFABJSXBFHCZRE-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H30N2S/c1-11(2)17-16-18(12(3)4)14-9-7-6-8-13(5)10-15(14)19-16/h11-15H,6-10H2,1-5H3/b17-16-.
What are the key properties of 8-methyl-N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine?
8-methyl-N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine has a molecular weight of 282.50 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine is sourced from PubChem (CID 167191017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).