1-N,2-diethyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine

C13H24N2S — CID 79814982

IUPAC1-N,2-diethyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
SMILESCCN(Cc1cccs1)CC(N)(CC)CC
InChIInChI=1S/C13H24N2S/c1-4-13(14,5-2)11-15(6-3)10-12-8-7-9-16-12/h7-9H,4-6,10-11,14H2,1-3H3
InChIKeyZGPDNKZVNGVRTQ-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.09
Rot. Bonds7

About 1-N,2-diethyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine

1-N,2-diethyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine (PubChem CID 79814982) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 1-N,2-diethyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-diethyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
PubChem CID79814982
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name1-N,2-diethyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
SMILESCCN(Cc1cccs1)CC(N)(CC)CC
InChIInChI=1S/C13H24N2S/c1-4-13(14,5-2)11-15(6-3)10-12-8-7-9-16-12/h7-9H,4-6,10-11,14H2,1-3H3
InChIKeyZGPDNKZVNGVRTQ-UHFFFAOYSA-N
XLogP3.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]butan-1-ol
CID 55055329
4-[1-[ethyl(thiophen-2-ylmethyl)amino]-2-methylpropan-2-yl]aniline
CID 80556236
N,2-diethyl-2-methyl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62259654
4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43458870
methyl 3-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpropanoate
CID 79619619
3-[ethyl(thiophen-2-ylmethyl)amino]-2-methyl-2-phenylpropanal
CID 62276440
2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3-fluoroaniline
CID 63331319
4-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylbutanethioamide
CID 65249134
N,N'-diethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 10512741
4-[ethyl(thiophen-2-ylmethyl)amino]butan-1-ol
CID 61437450
N'-ethyl-1-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61437521
N',2-diethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 81079435

Frequently Asked Questions

What is the IUPAC name of 1-N,2-diethyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine?
The IUPAC name of 1-N,2-diethyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine (CID 79814982) is 1-N,2-diethyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine.
What is the SMILES notation for 1-N,2-diethyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine?
The canonical SMILES for 1-N,2-diethyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine is CCN(Cc1cccs1)CC(N)(CC)CC.
What is the InChIKey of 1-N,2-diethyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine?
The InChIKey is ZGPDNKZVNGVRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-4-13(14,5-2)11-15(6-3)10-12-8-7-9-16-12/h7-9H,4-6,10-11,14H2,1-3H3.
What are the key properties of 1-N,2-diethyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine?
1-N,2-diethyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine has a molecular weight of 240.42 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-diethyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine is sourced from PubChem (CID 79814982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).