N',2-diethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine

C13H24N2S — CID 81079435

IUPACN',2-diethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
SMILESCCC(CN)CCN(CC)Cc1cccs1
InChIInChI=1S/C13H24N2S/c1-3-12(10-14)7-8-15(4-2)11-13-6-5-9-16-13/h5-6,9,12H,3-4,7-8,10-11,14H2,1-2H3
InChIKeyHIHMKJMFUOVCNH-UHFFFAOYSA-N
MW240.42 g/mol
LogP2.94
Rot. Bonds8

About N',2-diethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine

N',2-diethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine (PubChem CID 81079435) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N',2-diethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine.

Molecular Properties

Compound NameN',2-diethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
PubChem CID81079435
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN',2-diethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
SMILESCCC(CN)CCN(CC)Cc1cccs1
InChIInChI=1S/C13H24N2S/c1-3-12(10-14)7-8-15(4-2)11-13-6-5-9-16-13/h5-6,9,12H,3-4,7-8,10-11,14H2,1-2H3
InChIKeyHIHMKJMFUOVCNH-UHFFFAOYSA-N
XLogP2.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-thiophen-2-ylbutan-1-amine
CID 63774088
2-ethyl-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 65228216
2-ethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 65232586
N,N'-diethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 10512741
4-[ethyl(thiophen-2-ylmethyl)amino]butan-1-ol
CID 61437450
3-[ethyl(thiophen-2-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 61436828
N'-propan-2-yl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 65232585
1-N,2-diethyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 79814982
1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62643328
2-[4-(aminomethyl)phenoxy]-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine
CID 61439221
1-cyclopentyl-N-ethyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 55034715
1-[2-[ethyl(thiophen-2-ylmethyl)amino]ethyl]cyclopentan-1-amine
CID 64679712

Frequently Asked Questions

What is the IUPAC name of N',2-diethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine?
The IUPAC name of N',2-diethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine (CID 81079435) is N',2-diethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine.
What is the SMILES notation for N',2-diethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine?
The canonical SMILES for N',2-diethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine is CCC(CN)CCN(CC)Cc1cccs1.
What is the InChIKey of N',2-diethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine?
The InChIKey is HIHMKJMFUOVCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-3-12(10-14)7-8-15(4-2)11-13-6-5-9-16-13/h5-6,9,12H,3-4,7-8,10-11,14H2,1-2H3.
What are the key properties of N',2-diethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine?
N',2-diethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine has a molecular weight of 240.42 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-diethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine is sourced from PubChem (CID 81079435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).