N'-butyl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine

C13H24N2S — CID 62575390

IUPACN'-butyl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
SMILESCCCCN(C)CCNCCc1ccsc1
InChIInChI=1S/C13H24N2S/c1-3-4-9-15(2)10-8-14-7-5-13-6-11-16-12-13/h6,11-12,14H,3-5,7-10H2,1-2H3
InChIKeyJHPFEWPXEQCUBQ-UHFFFAOYSA-N
MW240.42 g/mol
LogP2.61
Rot. Bonds9

About N'-butyl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine

N'-butyl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine (PubChem CID 62575390) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N'-butyl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-butyl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
PubChem CID62575390
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN'-butyl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
SMILESCCCCN(C)CCNCCc1ccsc1
InChIInChI=1S/C13H24N2S/c1-3-4-9-15(2)10-8-14-7-5-13-6-11-16-12-13/h6,11-12,14H,3-5,7-10H2,1-2H3
InChIKeyJHPFEWPXEQCUBQ-UHFFFAOYSA-N
XLogP2.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 52.61
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

N-(2-thiophen-3-ylethyl)butan-1-amine
CID 60751767
N-(2-thiophen-3-ylethyl)decan-1-amine
CID 55194660
N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62556925
N'-butan-2-yl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62560168
N'-methyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 61386692
N'-butyl-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62575943
N'-[(2-bromophenyl)methyl]-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62557850
3-propoxy-N-(2-thiophen-3-ylethyl)propan-1-amine
CID 82939993
N-[2-(4-propylpiperazin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62574291
N'-ethyl-N'-(2-methoxyethyl)-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62554315
N'-(cyclopropylmethyl)-N'-ethyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 63940286
N'-ethyl-N'-(pyridin-4-ylmethyl)-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62555381

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine?
The IUPAC name of N'-butyl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine (CID 62575390) is N'-butyl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-butyl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-butyl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine is CCCCN(C)CCNCCc1ccsc1.
What is the InChIKey of N'-butyl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine?
The InChIKey is JHPFEWPXEQCUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-3-4-9-15(2)10-8-14-7-5-13-6-11-16-12-13/h6,11-12,14H,3-5,7-10H2,1-2H3.
What are the key properties of N'-butyl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine?
N'-butyl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine has a molecular weight of 240.42 g/mol, XLogP of 2.61, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 62575390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).