2,2-dimethyl-4-(3-methylbutan-2-ylsulfanyl)butanimidamide

C11H24N2S — CID 107750258

IUPAC2,2-dimethyl-4-(3-methylbutan-2-ylsulfanyl)butanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCSC(C)C(C)C
InChIInChI=1S/C11H24N2S/c1-8(2)9(3)14-7-6-11(4,5)10(12)13/h8-9H,6-7H2,1-5H3,(H3,12,13)
InChIKeyCLLYEDCJUPORHI-UHFFFAOYSA-N
MW216.39 g/mol
LogP3.12
Rot. Bonds6

About 2,2-dimethyl-4-(3-methylbutan-2-ylsulfanyl)butanimidamide

2,2-dimethyl-4-(3-methylbutan-2-ylsulfanyl)butanimidamide (PubChem CID 107750258) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is 2,2-dimethyl-4-(3-methylbutan-2-ylsulfanyl)butanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-4-(3-methylbutan-2-ylsulfanyl)butanimidamide
PubChem CID107750258
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC Name2,2-dimethyl-4-(3-methylbutan-2-ylsulfanyl)butanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCSC(C)C(C)C
InChIInChI=1S/C11H24N2S/c1-8(2)9(3)14-7-6-11(4,5)10(12)13/h8-9H,6-7H2,1-5H3,(H3,12,13)
InChIKeyCLLYEDCJUPORHI-UHFFFAOYSA-N
XLogP3.12
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-5-(3-methylbutan-2-ylsulfanyl)pentanimidamide
CID 107750268
3-(3-methylbutan-2-ylsulfanyl)propanimidamide
CID 107750260
2,2-dimethyloctanimidamide
CID 58158153
1-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)butan-2-ol
CID 107764946
2,2-dimethyl-5-propan-2-yloxypentanimidamide
CID 65258548
2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide
CID 65258572
2,2-dimethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanimidamide
CID 115383063
2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butanimidamide
CID 65252580
6-[butan-2-yl(methyl)amino]-2,2-dimethylhexanimidamide
CID 106711950
6-butan-2-yloxy-2,2-dimethylhexanimidamide
CID 106712397
4-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylbutanimidamide
CID 82951402
2,2-dimethyl-5-pentan-2-yloxypentanimidamide
CID 102982171

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(3-methylbutan-2-ylsulfanyl)butanimidamide?
The IUPAC name of 2,2-dimethyl-4-(3-methylbutan-2-ylsulfanyl)butanimidamide (CID 107750258) is 2,2-dimethyl-4-(3-methylbutan-2-ylsulfanyl)butanimidamide.
What is the SMILES notation for 2,2-dimethyl-4-(3-methylbutan-2-ylsulfanyl)butanimidamide?
The canonical SMILES for 2,2-dimethyl-4-(3-methylbutan-2-ylsulfanyl)butanimidamide is [H]/N=C(\N)C(C)(C)CCSC(C)C(C)C.
What is the InChIKey of 2,2-dimethyl-4-(3-methylbutan-2-ylsulfanyl)butanimidamide?
The InChIKey is CLLYEDCJUPORHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-8(2)9(3)14-7-6-11(4,5)10(12)13/h8-9H,6-7H2,1-5H3,(H3,12,13).
What are the key properties of 2,2-dimethyl-4-(3-methylbutan-2-ylsulfanyl)butanimidamide?
2,2-dimethyl-4-(3-methylbutan-2-ylsulfanyl)butanimidamide has a molecular weight of 216.39 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(3-methylbutan-2-ylsulfanyl)butanimidamide is sourced from PubChem (CID 107750258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).