2,4-dimethyl-4-(2,4,4-trimethylhexan-2-yldisulfanyl)pentan-2-amine

C16H35NS2 — CID 171508665

IUPAC2,4-dimethyl-4-(2,4,4-trimethylhexan-2-yldisulfanyl)pentan-2-amine
SMILESCCC(C)(C)CC(C)(C)SSC(C)(C)CC(C)(C)N
InChIInChI=1S/C16H35NS2/c1-10-13(2,3)11-15(6,7)18-19-16(8,9)12-14(4,5)17/h10-12,17H2,1-9H3
InChIKeyTVFPONVOJNLEQB-UHFFFAOYSA-N
MW305.60 g/mol
LogP5.88
Rot. Bonds8

About 2,4-dimethyl-4-(2,4,4-trimethylhexan-2-yldisulfanyl)pentan-2-amine

2,4-dimethyl-4-(2,4,4-trimethylhexan-2-yldisulfanyl)pentan-2-amine (PubChem CID 171508665) has the molecular formula C16H35NS2 and a molecular weight of 305.60 g/mol. Its IUPAC name is 2,4-dimethyl-4-(2,4,4-trimethylhexan-2-yldisulfanyl)pentan-2-amine.

Molecular Properties

Compound Name2,4-dimethyl-4-(2,4,4-trimethylhexan-2-yldisulfanyl)pentan-2-amine
PubChem CID171508665
Molecular FormulaC16H35NS2
Molecular Weight305.60 g/mol
Exact Mass305.22
IUPAC Name2,4-dimethyl-4-(2,4,4-trimethylhexan-2-yldisulfanyl)pentan-2-amine
SMILESCCC(C)(C)CC(C)(C)SSC(C)(C)CC(C)(C)N
InChIInChI=1S/C16H35NS2/c1-10-13(2,3)11-15(6,7)18-19-16(8,9)12-14(4,5)17/h10-12,17H2,1-9H3
InChIKeyTVFPONVOJNLEQB-UHFFFAOYSA-N
XLogP5.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.60
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;2,4,4-trimethylhexan-2-amine
CID 143206912
tetrakis(3,3-dimethylpentane);methane
CID 159658641
3,3-dimethylpentane;methane
CID 158185076
3,3-dimethylpentane;2,2-dimethylpropane
CID 173299738
3,3-dimethylpentane;propane
CID 90942978
2-(2,2-dimethylbutyl)-4,4-dimethylhexane-1,2-diamine
CID 23346633
N-[4-[(4-amino-2,4-dimethylpentan-2-yl)disulfanyl]-2,4-dimethylpentan-2-yl]acetamide
CID 171508571
2,2-dimethylbutane;3,3-dimethylpentane
CID 160500141
2-methylbutan-2-amine;hydrate
CID 173000674
2-methylbutan-2-amine;propane
CID 91035545
ethane;2,2,4,4-tetramethylhexan-1-amine
CID 144955387
2,4,4-trimethyl-2-(2-methylbutylsulfanyl)hexane
CID 170069661

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-4-(2,4,4-trimethylhexan-2-yldisulfanyl)pentan-2-amine?
The IUPAC name of 2,4-dimethyl-4-(2,4,4-trimethylhexan-2-yldisulfanyl)pentan-2-amine (CID 171508665) is 2,4-dimethyl-4-(2,4,4-trimethylhexan-2-yldisulfanyl)pentan-2-amine.
What is the SMILES notation for 2,4-dimethyl-4-(2,4,4-trimethylhexan-2-yldisulfanyl)pentan-2-amine?
The canonical SMILES for 2,4-dimethyl-4-(2,4,4-trimethylhexan-2-yldisulfanyl)pentan-2-amine is CCC(C)(C)CC(C)(C)SSC(C)(C)CC(C)(C)N.
What is the InChIKey of 2,4-dimethyl-4-(2,4,4-trimethylhexan-2-yldisulfanyl)pentan-2-amine?
The InChIKey is TVFPONVOJNLEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NS2/c1-10-13(2,3)11-15(6,7)18-19-16(8,9)12-14(4,5)17/h10-12,17H2,1-9H3.
What are the key properties of 2,4-dimethyl-4-(2,4,4-trimethylhexan-2-yldisulfanyl)pentan-2-amine?
2,4-dimethyl-4-(2,4,4-trimethylhexan-2-yldisulfanyl)pentan-2-amine has a molecular weight of 305.60 g/mol, XLogP of 5.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4-(2,4,4-trimethylhexan-2-yldisulfanyl)pentan-2-amine is sourced from PubChem (CID 171508665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).