4-(4-bromothiophen-2-yl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine

C15H27BrN2S — CID 79093811

IUPAC4-(4-bromothiophen-2-yl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine
SMILESCCCNC(CCN(CC)CC)Cc1cc(Br)cs1
InChIInChI=1S/C15H27BrN2S/c1-4-8-17-14(7-9-18(5-2)6-3)11-15-10-13(16)12-19-15/h10,12,14,17H,4-9,11H2,1-3H3
InChIKeyBTKXPKBLCSCCBH-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.15
Rot. Bonds10

About 4-(4-bromothiophen-2-yl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine

4-(4-bromothiophen-2-yl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine (PubChem CID 79093811) has the molecular formula C15H27BrN2S and a molecular weight of 347.37 g/mol. Its IUPAC name is 4-(4-bromothiophen-2-yl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine.

Molecular Properties

Compound Name4-(4-bromothiophen-2-yl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine
PubChem CID79093811
Molecular FormulaC15H27BrN2S
Molecular Weight347.37 g/mol
Exact Mass346.11
IUPAC Name4-(4-bromothiophen-2-yl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine
SMILESCCCNC(CCN(CC)CC)Cc1cc(Br)cs1
InChIInChI=1S/C15H27BrN2S/c1-4-8-17-14(7-9-18(5-2)6-3)11-15-10-13(16)12-19-15/h10,12,14,17H,4-9,11H2,1-3H3
InChIKeyBTKXPKBLCSCCBH-UHFFFAOYSA-N
XLogP4.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-bromothiophen-2-yl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromothiophen-2-yl)-N-propylbutan-2-amine
CID 62601735
4-(5-bromothiophen-2-yl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine
CID 79092455
1-(4-bromothiophen-2-yl)-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine
CID 103149952
1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)-N-propylpropan-2-amine
CID 63412914
1-(4-bromothiophen-2-yl)-3-(2,6-difluorophenyl)-N-propylpropan-2-amine
CID 115847659
1-(3-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)-N-propylpropan-2-amine
CID 66161598
1-(4-bromothiophen-2-yl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 62691752
4-(4-chlorophenyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine
CID 79093417
N'-[(4-bromothiophen-2-yl)methyl]-N-[2-(diethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 55090281
1-(4-bromothiophen-2-yl)butan-2-ylhydrazine
CID 105201113
4-(2-amino-4-pyridinyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine
CID 79093708
N-[1-(3-bromothiophen-2-yl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine
CID 115847708

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromothiophen-2-yl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine?
The IUPAC name of 4-(4-bromothiophen-2-yl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine (CID 79093811) is 4-(4-bromothiophen-2-yl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine.
What is the SMILES notation for 4-(4-bromothiophen-2-yl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine?
The canonical SMILES for 4-(4-bromothiophen-2-yl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine is CCCNC(CCN(CC)CC)Cc1cc(Br)cs1.
What is the InChIKey of 4-(4-bromothiophen-2-yl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine?
The InChIKey is BTKXPKBLCSCCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BrN2S/c1-4-8-17-14(7-9-18(5-2)6-3)11-15-10-13(16)12-19-15/h10,12,14,17H,4-9,11H2,1-3H3.
What are the key properties of 4-(4-bromothiophen-2-yl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine?
4-(4-bromothiophen-2-yl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine has a molecular weight of 347.37 g/mol, XLogP of 4.15, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromothiophen-2-yl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine is sourced from PubChem (CID 79093811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).