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

C13H20Br2N2S — CID 102841835

IUPAC4-N-[(4,5-dibromothiophen-2-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)Cc2cc(Br)c(Br)s2)CC1
InChIInChI=1S/C13H20Br2N2S/c1-16-9-3-5-10(6-4-9)17(2)8-11-7-12(14)13(15)18-11/h7,9-10,16H,3-6,8H2,1-2H3
InChIKeySRQAIUDDTIZEFA-UHFFFAOYSA-N
MW396.19 g/mol
LogP4.24
Rot. Bonds4

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

4-N-[(4,5-dibromothiophen-2-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine (PubChem CID 102841835) has the molecular formula C13H20Br2N2S and a molecular weight of 396.19 g/mol. Its IUPAC name is 4-N-[(4,5-dibromothiophen-2-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(4,5-dibromothiophen-2-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
PubChem CID102841835
Molecular FormulaC13H20Br2N2S
Molecular Weight396.19 g/mol
Exact Mass393.97
IUPAC Name4-N-[(4,5-dibromothiophen-2-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)Cc2cc(Br)c(Br)s2)CC1
InChIInChI=1S/C13H20Br2N2S/c1-16-9-3-5-10(6-4-9)17(2)8-11-7-12(14)13(15)18-11/h7,9-10,16H,3-6,8H2,1-2H3
InChIKeySRQAIUDDTIZEFA-UHFFFAOYSA-N
XLogP4.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.19
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-N-[(5-ethylfuran-2-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79110587
4-N-[(2,5-dimethylphenyl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79122756
1-N,4-N-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine
CID 82866259
N-[(4,5-dibromothiophen-2-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106602748
N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine
CID 130734905
N-[(5-bromo-1,3-thiazol-2-yl)methyl]-N-methylcyclopropanamine
CID 130660961
N-[(4,5-dibromothiophen-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599215
4-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]benzonitrile
CID 79122853
N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-4-ethyl-N-methylcyclohexan-1-amine
CID 107555313
1-N,4-N-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1,4-diamine
CID 113457163
4-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79118319
methyl 3-methyl-5-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]furan-2-carboxylate
CID 79118658

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4,5-dibromothiophen-2-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(4,5-dibromothiophen-2-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine (CID 102841835) is 4-N-[(4,5-dibromothiophen-2-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(4,5-dibromothiophen-2-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(4,5-dibromothiophen-2-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine is CNC1CCC(N(C)Cc2cc(Br)c(Br)s2)CC1.
What is the InChIKey of 4-N-[(4,5-dibromothiophen-2-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The InChIKey is SRQAIUDDTIZEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Br2N2S/c1-16-9-3-5-10(6-4-9)17(2)8-11-7-12(14)13(15)18-11/h7,9-10,16H,3-6,8H2,1-2H3.
What are the key properties of 4-N-[(4,5-dibromothiophen-2-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine?
4-N-[(4,5-dibromothiophen-2-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine has a molecular weight of 396.19 g/mol, XLogP of 4.24, 4 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,4-N-dimethylcyclohexane-1,4-diamine is sourced from PubChem (CID 102841835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).