2-N,2-N,2-triethyl-1-(5-methylthiophen-2-yl)butane-1,2-diamine

C15H28N2S — CID 79067555

IUPAC2-N,2-N,2-triethyl-1-(5-methylthiophen-2-yl)butane-1,2-diamine
SMILESCCN(CC)C(CC)(CC)C(N)c1ccc(C)s1
InChIInChI=1S/C15H28N2S/c1-6-15(7-2,17(8-3)9-4)14(16)13-11-10-12(5)18-13/h10-11,14H,6-9,16H2,1-5H3
InChIKeyNZTKEYYNBCOXAK-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.96
Rot. Bonds7

About 2-N,2-N,2-triethyl-1-(5-methylthiophen-2-yl)butane-1,2-diamine

2-N,2-N,2-triethyl-1-(5-methylthiophen-2-yl)butane-1,2-diamine (PubChem CID 79067555) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is 2-N,2-N,2-triethyl-1-(5-methylthiophen-2-yl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,2-triethyl-1-(5-methylthiophen-2-yl)butane-1,2-diamine
PubChem CID79067555
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name2-N,2-N,2-triethyl-1-(5-methylthiophen-2-yl)butane-1,2-diamine
SMILESCCN(CC)C(CC)(CC)C(N)c1ccc(C)s1
InChIInChI=1S/C15H28N2S/c1-6-15(7-2,17(8-3)9-4)14(16)13-11-10-12(5)18-13/h10-11,14H,6-9,16H2,1-5H3
InChIKeyNZTKEYYNBCOXAK-UHFFFAOYSA-N
XLogP3.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-N,2-N-dimethyl-1-(5-methylthiophen-2-yl)butane-1,2-diamine
CID 79062272
2-(diethylamino)-2-ethyl-1-(5-methylthiophen-2-yl)butan-1-ol
CID 79061093
N,N-diethyl-1-hydrazinyl-2-methyl-1-(5-methylthiophen-2-yl)propan-2-amine
CID 105239251
3-[hydrazinyl-(5-methylthiophen-2-yl)methyl]-N,N-dimethylpentan-3-amine
CID 105241697
1-(2-chlorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine
CID 79061666
1-(5-chlorothiophen-2-yl)-3-N,3-N,3-triethylpentane-2,3-diamine
CID 79062445
2-amino-2-(5-methylthiophen-2-yl)ethanol
CID 56828532
(3R)-3-amino-2,2-difluoro-3-(5-methylthiophen-2-yl)propanoic acid
CID 130611404
1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-(5-methylthiophen-2-yl)propane-1,2-diamine
CID 112657665
(1R)-1-(5-methylthiophen-2-yl)propane-1,3-diamine;hydrochloride
CID 171202338
1-N-ethyl-1-N-(2-ethylbutyl)-1-(5-methylthiophen-2-yl)butane-1,2-diamine
CID 63406369
1-(5-methylthiophen-2-yl)octan-1-amine
CID 43125261

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-triethyl-1-(5-methylthiophen-2-yl)butane-1,2-diamine?
The IUPAC name of 2-N,2-N,2-triethyl-1-(5-methylthiophen-2-yl)butane-1,2-diamine (CID 79067555) is 2-N,2-N,2-triethyl-1-(5-methylthiophen-2-yl)butane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,2-triethyl-1-(5-methylthiophen-2-yl)butane-1,2-diamine?
The canonical SMILES for 2-N,2-N,2-triethyl-1-(5-methylthiophen-2-yl)butane-1,2-diamine is CCN(CC)C(CC)(CC)C(N)c1ccc(C)s1.
What is the InChIKey of 2-N,2-N,2-triethyl-1-(5-methylthiophen-2-yl)butane-1,2-diamine?
The InChIKey is NZTKEYYNBCOXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-6-15(7-2,17(8-3)9-4)14(16)13-11-10-12(5)18-13/h10-11,14H,6-9,16H2,1-5H3.
What are the key properties of 2-N,2-N,2-triethyl-1-(5-methylthiophen-2-yl)butane-1,2-diamine?
2-N,2-N,2-triethyl-1-(5-methylthiophen-2-yl)butane-1,2-diamine has a molecular weight of 268.47 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-triethyl-1-(5-methylthiophen-2-yl)butane-1,2-diamine is sourced from PubChem (CID 79067555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).