4-N-[(4,5-dibromothiophen-2-yl)methyl]-1-N,1-N-diethylpentane-1,4-diamine

C14H24Br2N2S — CID 102830415

IUPAC4-N-[(4,5-dibromothiophen-2-yl)methyl]-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NCc1cc(Br)c(Br)s1
InChIInChI=1S/C14H24Br2N2S/c1-4-18(5-2)8-6-7-11(3)17-10-12-9-13(15)14(16)19-12/h9,11,17H,4-8,10H2,1-3H3
InChIKeyFTDXPDXYBKKMGJ-UHFFFAOYSA-N
MW412.24 g/mol
LogP4.87
Rot. Bonds9

About 4-N-[(4,5-dibromothiophen-2-yl)methyl]-1-N,1-N-diethylpentane-1,4-diamine

4-N-[(4,5-dibromothiophen-2-yl)methyl]-1-N,1-N-diethylpentane-1,4-diamine (PubChem CID 102830415) has the molecular formula C14H24Br2N2S and a molecular weight of 412.24 g/mol. Its IUPAC name is 4-N-[(4,5-dibromothiophen-2-yl)methyl]-1-N,1-N-diethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(4,5-dibromothiophen-2-yl)methyl]-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID102830415
Molecular FormulaC14H24Br2N2S
Molecular Weight412.24 g/mol
Exact Mass410.00
IUPAC Name4-N-[(4,5-dibromothiophen-2-yl)methyl]-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NCc1cc(Br)c(Br)s1
InChIInChI=1S/C14H24Br2N2S/c1-4-18(5-2)8-6-7-11(3)17-10-12-9-13(15)14(16)19-12/h9,11,17H,4-8,10H2,1-3H3
InChIKeyFTDXPDXYBKKMGJ-UHFFFAOYSA-N
XLogP4.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.24
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-N-[(4,5-dibromothiophen-2-yl)methyl]-1-N,1-N-diethylpentane-1,4-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

3-[(4,5-dibromothiophen-2-yl)methylamino]butan-1-ol
CID 102837210
N-[(4,5-dibromothiophen-2-yl)methyl]-4-methylhexan-2-amine
CID 102836205
1-N,1-N-diethyl-4-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pentane-1,4-diamine
CID 54883558
N-[(4,5-dibromothiophen-2-yl)methyl]-1-ethylsulfanylpropan-2-amine
CID 102837684
5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophene-2-carboxylic acid
CID 103233758
2-[5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophen-2-yl]acetic acid
CID 82886272
4-N-[(3-bromo-2,6-difluorophenyl)methyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 106263121
N-[(4-bromo-5-methylthiophen-2-yl)methyl]pentan-2-amine
CID 102830099
4-[(4-bromo-5-methylthiophen-2-yl)methylamino]pentan-1-ol
CID 102836538
1-N,1-N-diethyl-4-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pentane-1,4-diamine
CID 62472923
1-N,1-N-diethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine
CID 4825725
1-N,1-N-diethyl-4-N-(thiophen-3-ylmethyl)pentane-1,4-diamine
CID 43178391

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4,5-dibromothiophen-2-yl)methyl]-1-N,1-N-diethylpentane-1,4-diamine?
The IUPAC name of 4-N-[(4,5-dibromothiophen-2-yl)methyl]-1-N,1-N-diethylpentane-1,4-diamine (CID 102830415) is 4-N-[(4,5-dibromothiophen-2-yl)methyl]-1-N,1-N-diethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-[(4,5-dibromothiophen-2-yl)methyl]-1-N,1-N-diethylpentane-1,4-diamine?
The canonical SMILES for 4-N-[(4,5-dibromothiophen-2-yl)methyl]-1-N,1-N-diethylpentane-1,4-diamine is CCN(CC)CCCC(C)NCc1cc(Br)c(Br)s1.
What is the InChIKey of 4-N-[(4,5-dibromothiophen-2-yl)methyl]-1-N,1-N-diethylpentane-1,4-diamine?
The InChIKey is FTDXPDXYBKKMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24Br2N2S/c1-4-18(5-2)8-6-7-11(3)17-10-12-9-13(15)14(16)19-12/h9,11,17H,4-8,10H2,1-3H3.
What are the key properties of 4-N-[(4,5-dibromothiophen-2-yl)methyl]-1-N,1-N-diethylpentane-1,4-diamine?
4-N-[(4,5-dibromothiophen-2-yl)methyl]-1-N,1-N-diethylpentane-1,4-diamine has a molecular weight of 412.24 g/mol, XLogP of 4.87, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4,5-dibromothiophen-2-yl)methyl]-1-N,1-N-diethylpentane-1,4-diamine is sourced from PubChem (CID 102830415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).