2-N,3-dimethyl-2-N-(2-thiophen-2-ylethyl)hexane-1,2-diamine

C14H26N2S — CID 79476641

IUPAC2-N,3-dimethyl-2-N-(2-thiophen-2-ylethyl)hexane-1,2-diamine
SMILESCCCC(C)C(CN)N(C)CCc1cccs1
InChIInChI=1S/C14H26N2S/c1-4-6-12(2)14(11-15)16(3)9-8-13-7-5-10-17-13/h5,7,10,12,14H,4,6,8-9,11,15H2,1-3H3
InChIKeyWXQUVLVRYHYHJV-UHFFFAOYSA-N
MW254.44 g/mol
LogP2.99
Rot. Bonds8

About 2-N,3-dimethyl-2-N-(2-thiophen-2-ylethyl)hexane-1,2-diamine

2-N,3-dimethyl-2-N-(2-thiophen-2-ylethyl)hexane-1,2-diamine (PubChem CID 79476641) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 2-N,3-dimethyl-2-N-(2-thiophen-2-ylethyl)hexane-1,2-diamine.

Molecular Properties

Compound Name2-N,3-dimethyl-2-N-(2-thiophen-2-ylethyl)hexane-1,2-diamine
PubChem CID79476641
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name2-N,3-dimethyl-2-N-(2-thiophen-2-ylethyl)hexane-1,2-diamine
SMILESCCCC(C)C(CN)N(C)CCc1cccs1
InChIInChI=1S/C14H26N2S/c1-4-6-12(2)14(11-15)16(3)9-8-13-7-5-10-17-13/h5,7,10,12,14H,4,6,8-9,11,15H2,1-3H3
InChIKeyWXQUVLVRYHYHJV-UHFFFAOYSA-N
XLogP2.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(4-propan-2-ylphenyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79472526
2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine
CID 83054806
2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 79494668
2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
CID 79494546
2-N-methyl-2-N-(2-thiophen-2-ylethyl)-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 79494883
4,4-dimethoxy-2-N-methyl-2-N-(2-thiophen-2-ylethyl)butane-1,2-diamine
CID 79475548
2,2-diethoxy-N-methyl-N-(2-thiophen-2-ylethyl)ethanamine
CID 79486334
2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid
CID 63773850
2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
CID 79476562
4-N-methyl-1-N-(2-methylpropyl)-4-N-(2-thiophen-2-ylethyl)pentane-1,4-diamine
CID 79494469
N'-methyl-2-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)butane-1,4-diamine
CID 79488348
3-methyl-1-thiophen-2-ylhexan-2-amine
CID 61078853

Frequently Asked Questions

What is the IUPAC name of 2-N,3-dimethyl-2-N-(2-thiophen-2-ylethyl)hexane-1,2-diamine?
The IUPAC name of 2-N,3-dimethyl-2-N-(2-thiophen-2-ylethyl)hexane-1,2-diamine (CID 79476641) is 2-N,3-dimethyl-2-N-(2-thiophen-2-ylethyl)hexane-1,2-diamine.
What is the SMILES notation for 2-N,3-dimethyl-2-N-(2-thiophen-2-ylethyl)hexane-1,2-diamine?
The canonical SMILES for 2-N,3-dimethyl-2-N-(2-thiophen-2-ylethyl)hexane-1,2-diamine is CCCC(C)C(CN)N(C)CCc1cccs1.
What is the InChIKey of 2-N,3-dimethyl-2-N-(2-thiophen-2-ylethyl)hexane-1,2-diamine?
The InChIKey is WXQUVLVRYHYHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-4-6-12(2)14(11-15)16(3)9-8-13-7-5-10-17-13/h5,7,10,12,14H,4,6,8-9,11,15H2,1-3H3.
What are the key properties of 2-N,3-dimethyl-2-N-(2-thiophen-2-ylethyl)hexane-1,2-diamine?
2-N,3-dimethyl-2-N-(2-thiophen-2-ylethyl)hexane-1,2-diamine has a molecular weight of 254.44 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-dimethyl-2-N-(2-thiophen-2-ylethyl)hexane-1,2-diamine is sourced from PubChem (CID 79476641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).