N'-[(5-bromothiophen-3-yl)methyl]-N-(cyclohexylmethyl)-N'-methylethane-1,2-diamine

C15H25BrN2S — CID 63502049

IUPACN'-[(5-bromothiophen-3-yl)methyl]-N-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNCC1CCCCC1)Cc1csc(Br)c1
InChIInChI=1S/C15H25BrN2S/c1-18(11-14-9-15(16)19-12-14)8-7-17-10-13-5-3-2-4-6-13/h9,12-13,17H,2-8,10-11H2,1H3
InChIKeyUYOUGDROKQZKCA-UHFFFAOYSA-N
MW345.35 g/mol
LogP4.11
Rot. Bonds7

About N'-[(5-bromothiophen-3-yl)methyl]-N-(cyclohexylmethyl)-N'-methylethane-1,2-diamine

N'-[(5-bromothiophen-3-yl)methyl]-N-(cyclohexylmethyl)-N'-methylethane-1,2-diamine (PubChem CID 63502049) has the molecular formula C15H25BrN2S and a molecular weight of 345.35 g/mol. Its IUPAC name is N'-[(5-bromothiophen-3-yl)methyl]-N-(cyclohexylmethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(5-bromothiophen-3-yl)methyl]-N-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
PubChem CID63502049
Molecular FormulaC15H25BrN2S
Molecular Weight345.35 g/mol
Exact Mass344.09
IUPAC NameN'-[(5-bromothiophen-3-yl)methyl]-N-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNCC1CCCCC1)Cc1csc(Br)c1
InChIInChI=1S/C15H25BrN2S/c1-18(11-14-9-15(16)19-12-14)8-7-17-10-13-5-3-2-4-6-13/h9,12-13,17H,2-8,10-11H2,1H3
InChIKeyUYOUGDROKQZKCA-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.11
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

N'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62557186
1-[(5-bromothiophen-3-yl)methyl-methylamino]-3-cyclopentylpropan-2-ol
CID 103159866
N-[(5-bromothiophen-3-yl)methyl]-2-cyclobutyl-N-methylacetamide
CID 103707088
N-[(5-bromothiophen-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride
CID 119742244
N-(cyclopentylmethyl)-N'-[(3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62573436
N-(cyclohexylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62558136
2-[(5-bromothiophen-3-yl)methyl-methylamino]-N-(2-methylcyclohexyl)acetamide
CID 60585169
N'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 62557712
2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]cyclohexan-1-one
CID 62615994
N-(cyclohexylmethyl)-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 62560208
N'-(cyclohexylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
CID 61447834
N'-[(5-bromothiophen-3-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine
CID 63501696

Frequently Asked Questions

What is the IUPAC name of N'-[(5-bromothiophen-3-yl)methyl]-N-(cyclohexylmethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[(5-bromothiophen-3-yl)methyl]-N-(cyclohexylmethyl)-N'-methylethane-1,2-diamine (CID 63502049) is N'-[(5-bromothiophen-3-yl)methyl]-N-(cyclohexylmethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[(5-bromothiophen-3-yl)methyl]-N-(cyclohexylmethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[(5-bromothiophen-3-yl)methyl]-N-(cyclohexylmethyl)-N'-methylethane-1,2-diamine is CN(CCNCC1CCCCC1)Cc1csc(Br)c1.
What is the InChIKey of N'-[(5-bromothiophen-3-yl)methyl]-N-(cyclohexylmethyl)-N'-methylethane-1,2-diamine?
The InChIKey is UYOUGDROKQZKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2S/c1-18(11-14-9-15(16)19-12-14)8-7-17-10-13-5-3-2-4-6-13/h9,12-13,17H,2-8,10-11H2,1H3.
What are the key properties of N'-[(5-bromothiophen-3-yl)methyl]-N-(cyclohexylmethyl)-N'-methylethane-1,2-diamine?
N'-[(5-bromothiophen-3-yl)methyl]-N-(cyclohexylmethyl)-N'-methylethane-1,2-diamine has a molecular weight of 345.35 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-bromothiophen-3-yl)methyl]-N-(cyclohexylmethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 63502049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).