2-N,2-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)octane-1,2-diamine

C17H32N2S — CID 79475762

IUPAC2-N,2-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)octane-1,2-diamine
SMILESCCCCCCC(C)(CN)N(C)C(C)Cc1cccs1
InChIInChI=1S/C17H32N2S/c1-5-6-7-8-11-17(3,14-18)19(4)15(2)13-16-10-9-12-20-16/h9-10,12,15H,5-8,11,13-14,18H2,1-4H3
InChIKeyQBLZMURHJVVVGN-UHFFFAOYSA-N
MW296.52 g/mol
LogP4.30
Rot. Bonds10

About 2-N,2-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)octane-1,2-diamine

2-N,2-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)octane-1,2-diamine (PubChem CID 79475762) has the molecular formula C17H32N2S and a molecular weight of 296.52 g/mol. Its IUPAC name is 2-N,2-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)octane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)octane-1,2-diamine
PubChem CID79475762
Molecular FormulaC17H32N2S
Molecular Weight296.52 g/mol
Exact Mass296.23
IUPAC Name2-N,2-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)octane-1,2-diamine
SMILESCCCCCCC(C)(CN)N(C)C(C)Cc1cccs1
InChIInChI=1S/C17H32N2S/c1-5-6-7-8-11-17(3,14-18)19(4)15(2)13-16-10-9-12-20-16/h9-10,12,15H,5-8,11,13-14,18H2,1-4H3
InChIKeyQBLZMURHJVVVGN-UHFFFAOYSA-N
XLogP4.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.52
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N,2-dimethyl-2-N-(2-thiophen-2-ylethyl)nonane-1,2-diamine
CID 79476491
2-N,4-dimethyl-2-(2-methylpropyl)-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
CID 114867817
2-N,2-dimethyl-2-N-pentan-2-yloctane-1,2-diamine
CID 43571908
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)pentane-1,5-diamine
CID 79476552
2-N,2-dimethyl-2-N-pentan-2-ylheptane-1,2-diamine
CID 80558210
1-thiophen-2-yltridecan-2-amine
CID 65428259
2-methyl-2-N-(thiophen-2-ylmethyl)heptane-1,2-diamine
CID 80557369
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
N',2-dimethyl-2-phenyl-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine
CID 79489657
2-methyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79486869
2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
CID 79476562
3,3,3-trifluoro-2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine
CID 79475884

Frequently Asked Questions

What is the IUPAC name of 2-N,2-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)octane-1,2-diamine?
The IUPAC name of 2-N,2-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)octane-1,2-diamine (CID 79475762) is 2-N,2-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)octane-1,2-diamine.
What is the SMILES notation for 2-N,2-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)octane-1,2-diamine?
The canonical SMILES for 2-N,2-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)octane-1,2-diamine is CCCCCCC(C)(CN)N(C)C(C)Cc1cccs1.
What is the InChIKey of 2-N,2-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)octane-1,2-diamine?
The InChIKey is QBLZMURHJVVVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2S/c1-5-6-7-8-11-17(3,14-18)19(4)15(2)13-16-10-9-12-20-16/h9-10,12,15H,5-8,11,13-14,18H2,1-4H3.
What are the key properties of 2-N,2-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)octane-1,2-diamine?
2-N,2-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)octane-1,2-diamine has a molecular weight of 296.52 g/mol, XLogP of 4.30, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)octane-1,2-diamine is sourced from PubChem (CID 79475762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).