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

C13H24N2S — CID 62560168

IUPACN'-butan-2-yl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
SMILESCCC(C)N(C)CCNCCc1ccsc1
InChIInChI=1S/C13H24N2S/c1-4-12(2)15(3)9-8-14-7-5-13-6-10-16-11-13/h6,10-12,14H,4-5,7-9H2,1-3H3
InChIKeyPAYDILHCBYNFRD-UHFFFAOYSA-N
MW240.42 g/mol
LogP2.61
Rot. Bonds8

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

N'-butan-2-yl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine (PubChem CID 62560168) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N'-butan-2-yl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
PubChem CID62560168
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN'-butan-2-yl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
SMILESCCC(C)N(C)CCNCCc1ccsc1
InChIInChI=1S/C13H24N2S/c1-4-12(2)15(3)9-8-14-7-5-13-6-10-16-11-13/h6,10-12,14H,4-5,7-9H2,1-3H3
InChIKeyPAYDILHCBYNFRD-UHFFFAOYSA-N
XLogP2.61
TPSA15.27 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 ≤ 52.61
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

2-methyl-N-(2-thiophen-3-ylethyl)butan-1-amine
CID 61474890
N'-butyl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62575390
N-(2-thiophen-3-ylethyl)butan-1-amine
CID 60751767
N'-butan-2-yl-N'-methyl-N-(1-thiophen-3-ylethyl)ethane-1,2-diamine
CID 115716392
N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62556925
N'-ethyl-N'-(2-methoxyethyl)-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62554315
N-(2-thiophen-3-ylethyl)decan-1-amine
CID 55194660
N'-(cyclopropylmethyl)-N'-ethyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 63940286
N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-2-thiophen-3-ylethanamine
CID 107757303
N'-ethyl-N'-(pyridin-4-ylmethyl)-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62555381
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]thiophene-3-carboxamide
CID 95167795
N'-[(2-bromophenyl)methyl]-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62557850

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine?
The IUPAC name of N'-butan-2-yl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine (CID 62560168) is N'-butan-2-yl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-butan-2-yl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-butan-2-yl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine is CCC(C)N(C)CCNCCc1ccsc1.
What is the InChIKey of N'-butan-2-yl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine?
The InChIKey is PAYDILHCBYNFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-4-12(2)15(3)9-8-14-7-5-13-6-10-16-11-13/h6,10-12,14H,4-5,7-9H2,1-3H3.
What are the key properties of N'-butan-2-yl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine?
N'-butan-2-yl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine has a molecular weight of 240.42 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 62560168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).