2,2-dimethyl-5-(3-methylbutan-2-ylsulfanyl)pentanimidamide

C12H26N2S — CID 107750268

IUPAC2,2-dimethyl-5-(3-methylbutan-2-ylsulfanyl)pentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCSC(C)C(C)C
InChIInChI=1S/C12H26N2S/c1-9(2)10(3)15-8-6-7-12(4,5)11(13)14/h9-10H,6-8H2,1-5H3,(H3,13,14)
InChIKeyAHFVNLAUCPABMA-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.51
Rot. Bonds7

About 2,2-dimethyl-5-(3-methylbutan-2-ylsulfanyl)pentanimidamide

2,2-dimethyl-5-(3-methylbutan-2-ylsulfanyl)pentanimidamide (PubChem CID 107750268) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is 2,2-dimethyl-5-(3-methylbutan-2-ylsulfanyl)pentanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-5-(3-methylbutan-2-ylsulfanyl)pentanimidamide
PubChem CID107750268
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC Name2,2-dimethyl-5-(3-methylbutan-2-ylsulfanyl)pentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCSC(C)C(C)C
InChIInChI=1S/C12H26N2S/c1-9(2)10(3)15-8-6-7-12(4,5)11(13)14/h9-10H,6-8H2,1-5H3,(H3,13,14)
InChIKeyAHFVNLAUCPABMA-UHFFFAOYSA-N
XLogP3.51
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-4-(3-methylbutan-2-ylsulfanyl)butanimidamide
CID 107750258
2,2-dimethyloctanimidamide
CID 58158153
2,2-dimethyl-5-propan-2-yloxypentanimidamide
CID 65258548
2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide
CID 65258572
3-(3-methylbutan-2-ylsulfanyl)propanimidamide
CID 107750260
6-butan-2-yloxy-2,2-dimethylhexanimidamide
CID 106712397
6-[butan-2-yl(methyl)amino]-2,2-dimethylhexanimidamide
CID 106711950
2,2-dimethyl-5-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentanimidamide
CID 65262979
2,2-dimethyl-5-pentan-2-yloxypentanimidamide
CID 102982171
ethyl 2-methyl-5-(3-methylbutan-2-ylsulfanyl)-2-(propan-2-ylamino)pentanoate
CID 107755733
2,2-dimethyl-6-[2-methylpropyl(propan-2-yl)amino]hexanimidamide
CID 106712046
2-amino-2-ethyl-5-(3-methylbutan-2-ylsulfanyl)pentanoic acid
CID 107755879

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(3-methylbutan-2-ylsulfanyl)pentanimidamide?
The IUPAC name of 2,2-dimethyl-5-(3-methylbutan-2-ylsulfanyl)pentanimidamide (CID 107750268) is 2,2-dimethyl-5-(3-methylbutan-2-ylsulfanyl)pentanimidamide.
What is the SMILES notation for 2,2-dimethyl-5-(3-methylbutan-2-ylsulfanyl)pentanimidamide?
The canonical SMILES for 2,2-dimethyl-5-(3-methylbutan-2-ylsulfanyl)pentanimidamide is [H]/N=C(\N)C(C)(C)CCCSC(C)C(C)C.
What is the InChIKey of 2,2-dimethyl-5-(3-methylbutan-2-ylsulfanyl)pentanimidamide?
The InChIKey is AHFVNLAUCPABMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S/c1-9(2)10(3)15-8-6-7-12(4,5)11(13)14/h9-10H,6-8H2,1-5H3,(H3,13,14).
What are the key properties of 2,2-dimethyl-5-(3-methylbutan-2-ylsulfanyl)pentanimidamide?
2,2-dimethyl-5-(3-methylbutan-2-ylsulfanyl)pentanimidamide has a molecular weight of 230.42 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(3-methylbutan-2-ylsulfanyl)pentanimidamide is sourced from PubChem (CID 107750268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).