1-N-ethyl-1-N-(2-methylbutyl)-1-thiophen-3-ylbutane-1,2-diamine

C15H28N2S — CID 79477887

IUPAC1-N-ethyl-1-N-(2-methylbutyl)-1-thiophen-3-ylbutane-1,2-diamine
SMILESCCC(C)CN(CC)C(c1ccsc1)C(N)CC
InChIInChI=1S/C15H28N2S/c1-5-12(4)10-17(7-3)15(14(16)6-2)13-8-9-18-11-13/h8-9,11-12,14-15H,5-7,10,16H2,1-4H3
InChIKeyJXWSQFOYXDIDJC-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.89
Rot. Bonds8

About 1-N-ethyl-1-N-(2-methylbutyl)-1-thiophen-3-ylbutane-1,2-diamine

1-N-ethyl-1-N-(2-methylbutyl)-1-thiophen-3-ylbutane-1,2-diamine (PubChem CID 79477887) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is 1-N-ethyl-1-N-(2-methylbutyl)-1-thiophen-3-ylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-(2-methylbutyl)-1-thiophen-3-ylbutane-1,2-diamine
PubChem CID79477887
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name1-N-ethyl-1-N-(2-methylbutyl)-1-thiophen-3-ylbutane-1,2-diamine
SMILESCCC(C)CN(CC)C(c1ccsc1)C(N)CC
InChIInChI=1S/C15H28N2S/c1-5-12(4)10-17(7-3)15(14(16)6-2)13-8-9-18-11-13/h8-9,11-12,14-15H,5-7,10,16H2,1-4H3
InChIKeyJXWSQFOYXDIDJC-UHFFFAOYSA-N
XLogP3.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-1-thiophen-3-ylbutyl)-methylamino]propan-1-ol
CID 104551255
1-N-[1-(4-chlorophenyl)ethyl]-1-N-methyl-1-thiophen-3-ylbutane-1,2-diamine
CID 62979632
1-N-ethyl-1-(2-methoxyphenyl)-1-N-(2-methylbutyl)butane-1,2-diamine
CID 79481507
(1R)-1-thiophen-3-ylpropan-1-amine;hydrochloride
CID 171210593
1-N-methyl-1-N-(2-methylbutan-2-yl)-1-thiophen-3-ylpropane-1,2-diamine
CID 63983723
1-[(2-amino-1-thiophen-3-ylpropyl)-methylamino]propan-2-ol
CID 62335508
(1S,2R)-1-amino-1-thiophen-3-ylbutan-2-ol
CID 130683153
1-N-ethyl-1-N-(2-methylbutyl)-1-(3-methylphenyl)propane-1,2-diamine
CID 79477378
2-(diethylamino)-2-thiophen-3-ylethanethioamide
CID 84758197
1-N-ethyl-1-(2-fluorophenyl)-1-N-(2-methylbutyl)propane-1,2-diamine
CID 79477287
1-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-3-ylbutan-2-amine
CID 62772448
(1R)-3-ethyl-1-thiophen-3-ylpentan-1-amine
CID 99621448

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-(2-methylbutyl)-1-thiophen-3-ylbutane-1,2-diamine?
The IUPAC name of 1-N-ethyl-1-N-(2-methylbutyl)-1-thiophen-3-ylbutane-1,2-diamine (CID 79477887) is 1-N-ethyl-1-N-(2-methylbutyl)-1-thiophen-3-ylbutane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-(2-methylbutyl)-1-thiophen-3-ylbutane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-1-N-(2-methylbutyl)-1-thiophen-3-ylbutane-1,2-diamine is CCC(C)CN(CC)C(c1ccsc1)C(N)CC.
What is the InChIKey of 1-N-ethyl-1-N-(2-methylbutyl)-1-thiophen-3-ylbutane-1,2-diamine?
The InChIKey is JXWSQFOYXDIDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-5-12(4)10-17(7-3)15(14(16)6-2)13-8-9-18-11-13/h8-9,11-12,14-15H,5-7,10,16H2,1-4H3.
What are the key properties of 1-N-ethyl-1-N-(2-methylbutyl)-1-thiophen-3-ylbutane-1,2-diamine?
1-N-ethyl-1-N-(2-methylbutyl)-1-thiophen-3-ylbutane-1,2-diamine has a molecular weight of 268.47 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-(2-methylbutyl)-1-thiophen-3-ylbutane-1,2-diamine is sourced from PubChem (CID 79477887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).