2-methyl-N-propan-2-yl-2-propylsulfanylbutan-1-imine

C11H23NS — CID 13108548

IUPAC2-methyl-N-propan-2-yl-2-propylsulfanylbutan-1-imine
SMILESCCCSC(C)(/C=N/C(C)C)CC
InChIInChI=1S/C11H23NS/c1-6-8-13-11(5,7-2)9-12-10(3)4/h9-10H,6-8H2,1-5H3/b12-9+
InChIKeyPAMKEQHSFZHCPB-FMIVXFBMSA-N
MW201.38 g/mol
LogP3.78
Rot. Bonds6

About 2-methyl-N-propan-2-yl-2-propylsulfanylbutan-1-imine

2-methyl-N-propan-2-yl-2-propylsulfanylbutan-1-imine (PubChem CID 13108548) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 2-methyl-N-propan-2-yl-2-propylsulfanylbutan-1-imine.

Molecular Properties

Compound Name2-methyl-N-propan-2-yl-2-propylsulfanylbutan-1-imine
PubChem CID13108548
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name2-methyl-N-propan-2-yl-2-propylsulfanylbutan-1-imine
SMILESCCCSC(C)(/C=N/C(C)C)CC
InChIInChI=1S/C11H23NS/c1-6-8-13-11(5,7-2)9-12-10(3)4/h9-10H,6-8H2,1-5H3/b12-9+
InChIKeyPAMKEQHSFZHCPB-FMIVXFBMSA-N
XLogP3.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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 2-methyl-N-propan-2-yl-2-propylsulfanylbutan-1-imine?
The IUPAC name of 2-methyl-N-propan-2-yl-2-propylsulfanylbutan-1-imine (CID 13108548) is 2-methyl-N-propan-2-yl-2-propylsulfanylbutan-1-imine.
What is the SMILES notation for 2-methyl-N-propan-2-yl-2-propylsulfanylbutan-1-imine?
The canonical SMILES for 2-methyl-N-propan-2-yl-2-propylsulfanylbutan-1-imine is CCCSC(C)(/C=N/C(C)C)CC.
What is the InChIKey of 2-methyl-N-propan-2-yl-2-propylsulfanylbutan-1-imine?
The InChIKey is PAMKEQHSFZHCPB-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H23NS/c1-6-8-13-11(5,7-2)9-12-10(3)4/h9-10H,6-8H2,1-5H3/b12-9+.
What are the key properties of 2-methyl-N-propan-2-yl-2-propylsulfanylbutan-1-imine?
2-methyl-N-propan-2-yl-2-propylsulfanylbutan-1-imine has a molecular weight of 201.38 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-yl-2-propylsulfanylbutan-1-imine is sourced from PubChem (CID 13108548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).