2-N,2-dimethyl-2-N-(2-thiophen-2-ylethyl)nonane-1,2-diamine

C17H32N2S — CID 79476491

IUPAC2-N,2-dimethyl-2-N-(2-thiophen-2-ylethyl)nonane-1,2-diamine
SMILESCCCCCCCC(C)(CN)N(C)CCc1cccs1
InChIInChI=1S/C17H32N2S/c1-4-5-6-7-8-12-17(2,15-18)19(3)13-11-16-10-9-14-20-16/h9-10,14H,4-8,11-13,15,18H2,1-3H3
InChIKeyLFINKAQSFHRFOC-UHFFFAOYSA-N
MW296.52 g/mol
LogP4.30
Rot. Bonds11

About 2-N,2-dimethyl-2-N-(2-thiophen-2-ylethyl)nonane-1,2-diamine

2-N,2-dimethyl-2-N-(2-thiophen-2-ylethyl)nonane-1,2-diamine (PubChem CID 79476491) has the molecular formula C17H32N2S and a molecular weight of 296.52 g/mol. Its IUPAC name is 2-N,2-dimethyl-2-N-(2-thiophen-2-ylethyl)nonane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-dimethyl-2-N-(2-thiophen-2-ylethyl)nonane-1,2-diamine
PubChem CID79476491
Molecular FormulaC17H32N2S
Molecular Weight296.52 g/mol
Exact Mass296.23
IUPAC Name2-N,2-dimethyl-2-N-(2-thiophen-2-ylethyl)nonane-1,2-diamine
SMILESCCCCCCCC(C)(CN)N(C)CCc1cccs1
InChIInChI=1S/C17H32N2S/c1-4-5-6-7-8-12-17(2,15-18)19(3)13-11-16-10-9-14-20-16/h9-10,14H,4-8,11-13,15,18H2,1-3H3
InChIKeyLFINKAQSFHRFOC-UHFFFAOYSA-N
XLogP4.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
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-(1-thiophen-2-ylpropan-2-yl)octane-1,2-diamine
CID 79475762
2-N-butyl-2-N,2-dimethylnonane-1,2-diamine
CID 43089517
2-N,2,3-trimethyl-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine
CID 114275023
2-N-[2-(dimethylamino)ethyl]-2-N,2-dimethylnonane-1,2-diamine
CID 55227526
N'-methyl-N'-(2-thiophen-2-ylethyl)heptane-1,7-diamine
CID 79488346
methane;2-undecylthiophene
CID 175504380
2,2-dimethyl-N'-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
CID 79661594
2-methyl-2-N-(thiophen-2-ylmethyl)heptane-1,2-diamine
CID 80557369
ethane;2-pentylthiophene
CID 143883800
2-butylthiophene;methanamine
CID 143080300
2-(3,3-dimethylheptyl)thiophene
CID 57210788
N-hexyl-N-(thiophen-2-ylmethyl)hexan-1-amine
CID 6421755

Frequently Asked Questions

What is the IUPAC name of 2-N,2-dimethyl-2-N-(2-thiophen-2-ylethyl)nonane-1,2-diamine?
The IUPAC name of 2-N,2-dimethyl-2-N-(2-thiophen-2-ylethyl)nonane-1,2-diamine (CID 79476491) is 2-N,2-dimethyl-2-N-(2-thiophen-2-ylethyl)nonane-1,2-diamine.
What is the SMILES notation for 2-N,2-dimethyl-2-N-(2-thiophen-2-ylethyl)nonane-1,2-diamine?
The canonical SMILES for 2-N,2-dimethyl-2-N-(2-thiophen-2-ylethyl)nonane-1,2-diamine is CCCCCCCC(C)(CN)N(C)CCc1cccs1.
What is the InChIKey of 2-N,2-dimethyl-2-N-(2-thiophen-2-ylethyl)nonane-1,2-diamine?
The InChIKey is LFINKAQSFHRFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2S/c1-4-5-6-7-8-12-17(2,15-18)19(3)13-11-16-10-9-14-20-16/h9-10,14H,4-8,11-13,15,18H2,1-3H3.
What are the key properties of 2-N,2-dimethyl-2-N-(2-thiophen-2-ylethyl)nonane-1,2-diamine?
2-N,2-dimethyl-2-N-(2-thiophen-2-ylethyl)nonane-1,2-diamine has a molecular weight of 296.52 g/mol, XLogP of 4.30, 11 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-(2-thiophen-2-ylethyl)nonane-1,2-diamine is sourced from PubChem (CID 79476491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).