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

C10H21NS — CID 13108550

IUPAC2-methyl-N-propan-2-yl-2-propan-2-ylsulfanylpropan-1-imine
SMILESCC(C)/N=C/C(C)(C)SC(C)C
InChIInChI=1S/C10H21NS/c1-8(2)11-7-10(5,6)12-9(3)4/h7-9H,1-6H3/b11-7+
InChIKeyBZRFUEDANWEKIH-YRNVUSSQSA-N
MW187.35 g/mol
LogP3.39
Rot. Bonds4

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

2-methyl-N-propan-2-yl-2-propan-2-ylsulfanylpropan-1-imine (PubChem CID 13108550) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 2-methyl-N-propan-2-yl-2-propan-2-ylsulfanylpropan-1-imine.

Molecular Properties

Compound Name2-methyl-N-propan-2-yl-2-propan-2-ylsulfanylpropan-1-imine
PubChem CID13108550
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name2-methyl-N-propan-2-yl-2-propan-2-ylsulfanylpropan-1-imine
SMILESCC(C)/N=C/C(C)(C)SC(C)C
InChIInChI=1S/C10H21NS/c1-8(2)11-7-10(5,6)12-9(3)4/h7-9H,1-6H3/b11-7+
InChIKeyBZRFUEDANWEKIH-YRNVUSSQSA-N
XLogP3.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 53.39
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-propan-2-ylsulfanylpropan-1-imine?
The IUPAC name of 2-methyl-N-propan-2-yl-2-propan-2-ylsulfanylpropan-1-imine (CID 13108550) is 2-methyl-N-propan-2-yl-2-propan-2-ylsulfanylpropan-1-imine.
What is the SMILES notation for 2-methyl-N-propan-2-yl-2-propan-2-ylsulfanylpropan-1-imine?
The canonical SMILES for 2-methyl-N-propan-2-yl-2-propan-2-ylsulfanylpropan-1-imine is CC(C)/N=C/C(C)(C)SC(C)C.
What is the InChIKey of 2-methyl-N-propan-2-yl-2-propan-2-ylsulfanylpropan-1-imine?
The InChIKey is BZRFUEDANWEKIH-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H21NS/c1-8(2)11-7-10(5,6)12-9(3)4/h7-9H,1-6H3/b11-7+.
What are the key properties of 2-methyl-N-propan-2-yl-2-propan-2-ylsulfanylpropan-1-imine?
2-methyl-N-propan-2-yl-2-propan-2-ylsulfanylpropan-1-imine has a molecular weight of 187.35 g/mol, XLogP of 3.39, 4 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-propan-2-ylsulfanylpropan-1-imine is sourced from PubChem (CID 13108550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).