N-tert-butyl-2-methyl-2-propylsulfanylpropan-1-imine

C11H23NS — CID 13108543

IUPACN-tert-butyl-2-methyl-2-propylsulfanylpropan-1-imine
SMILESCCCSC(C)(C)/C=N/C(C)(C)C
InChIInChI=1S/C11H23NS/c1-7-8-13-11(5,6)9-12-10(2,3)4/h9H,7-8H2,1-6H3/b12-9+
InChIKeyJQHKVTQMSQDIPV-FMIVXFBMSA-N
MW201.38 g/mol
LogP3.78
Rot. Bonds4

About N-tert-butyl-2-methyl-2-propylsulfanylpropan-1-imine

N-tert-butyl-2-methyl-2-propylsulfanylpropan-1-imine (PubChem CID 13108543) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-2-propylsulfanylpropan-1-imine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-2-propylsulfanylpropan-1-imine
PubChem CID13108543
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC NameN-tert-butyl-2-methyl-2-propylsulfanylpropan-1-imine
SMILESCCCSC(C)(C)/C=N/C(C)(C)C
InChIInChI=1S/C11H23NS/c1-7-8-13-11(5,6)9-12-10(2,3)4/h9H,7-8H2,1-6H3/b12-9+
InChIKeyJQHKVTQMSQDIPV-FMIVXFBMSA-N
XLogP3.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.78
H-Bond Donors ≤ 50
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 N-tert-butyl-2-methyl-2-propylsulfanylpropan-1-imine?
The IUPAC name of N-tert-butyl-2-methyl-2-propylsulfanylpropan-1-imine (CID 13108543) is N-tert-butyl-2-methyl-2-propylsulfanylpropan-1-imine.
What is the SMILES notation for N-tert-butyl-2-methyl-2-propylsulfanylpropan-1-imine?
The canonical SMILES for N-tert-butyl-2-methyl-2-propylsulfanylpropan-1-imine is CCCSC(C)(C)/C=N/C(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methyl-2-propylsulfanylpropan-1-imine?
The InChIKey is JQHKVTQMSQDIPV-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H23NS/c1-7-8-13-11(5,6)9-12-10(2,3)4/h9H,7-8H2,1-6H3/b12-9+.
What are the key properties of N-tert-butyl-2-methyl-2-propylsulfanylpropan-1-imine?
N-tert-butyl-2-methyl-2-propylsulfanylpropan-1-imine has a molecular weight of 201.38 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-2-propylsulfanylpropan-1-imine is sourced from PubChem (CID 13108543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).