4-N-(5-bromothiophen-2-yl)-4-N-methylcyclohexane-1,4-diamine

C11H17BrN2S — CID 115149750

IUPAC4-N-(5-bromothiophen-2-yl)-4-N-methylcyclohexane-1,4-diamine
SMILESCN(c1ccc(Br)s1)C1CCC(N)CC1
InChIInChI=1S/C11H17BrN2S/c1-14(11-7-6-10(12)15-11)9-4-2-8(13)3-5-9/h6-9H,2-5,13H2,1H3
InChIKeyTUVWXCOCZARHIF-UHFFFAOYSA-N
MW289.24 g/mol
LogP3.22
Rot. Bonds2

About 4-N-(5-bromothiophen-2-yl)-4-N-methylcyclohexane-1,4-diamine

4-N-(5-bromothiophen-2-yl)-4-N-methylcyclohexane-1,4-diamine (PubChem CID 115149750) has the molecular formula C11H17BrN2S and a molecular weight of 289.24 g/mol. Its IUPAC name is 4-N-(5-bromothiophen-2-yl)-4-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(5-bromothiophen-2-yl)-4-N-methylcyclohexane-1,4-diamine
PubChem CID115149750
Molecular FormulaC11H17BrN2S
Molecular Weight289.24 g/mol
Exact Mass288.03
IUPAC Name4-N-(5-bromothiophen-2-yl)-4-N-methylcyclohexane-1,4-diamine
SMILESCN(c1ccc(Br)s1)C1CCC(N)CC1
InChIInChI=1S/C11H17BrN2S/c1-14(11-7-6-10(12)15-11)9-4-2-8(13)3-5-9/h6-9H,2-5,13H2,1H3
InChIKeyTUVWXCOCZARHIF-UHFFFAOYSA-N
XLogP3.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-bromothiophen-2-yl)-methylamino]cyclohexan-1-ol
CID 115149414
1-(aminomethyl)-4-[(5-bromothiophen-2-yl)-methylamino]cyclohexan-1-ol
CID 117039360
4-[(5-bromothiophen-2-yl)-methylamino]-1-(methylaminomethyl)cyclohexan-1-ol
CID 117039437
N-[(3-aminocyclobutyl)methyl]-5-bromo-N-methylthiophen-2-amine
CID 115213922
4-N-methyl-4-N-(4-methylphenyl)cyclohexane-1,4-diamine
CID 78917483
N-(4-aminocyclohexyl)-5-bromo-N-propylthiophene-2-carboxamide
CID 79111791
4-N-(4-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine
CID 115149728
4-[(4-aminocyclohexyl)-methylamino]-2-bromobenzonitrile
CID 107280809
4-N-(1,3-benzothiazol-2-yl)-4-N-methylcyclohexane-1,4-diamine
CID 79116231
4-N-methyl-4-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,4-diamine
CID 79115479
N-(5-bromothiophen-2-yl)-4-hydroxy-N-methylcyclohexane-1-carboxamide
CID 115150784
4-[(4-aminocyclohexyl)-methylamino]-3-bromobenzamide
CID 82808751

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-bromothiophen-2-yl)-4-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(5-bromothiophen-2-yl)-4-N-methylcyclohexane-1,4-diamine (CID 115149750) is 4-N-(5-bromothiophen-2-yl)-4-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(5-bromothiophen-2-yl)-4-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(5-bromothiophen-2-yl)-4-N-methylcyclohexane-1,4-diamine is CN(c1ccc(Br)s1)C1CCC(N)CC1.
What is the InChIKey of 4-N-(5-bromothiophen-2-yl)-4-N-methylcyclohexane-1,4-diamine?
The InChIKey is TUVWXCOCZARHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2S/c1-14(11-7-6-10(12)15-11)9-4-2-8(13)3-5-9/h6-9H,2-5,13H2,1H3.
What are the key properties of 4-N-(5-bromothiophen-2-yl)-4-N-methylcyclohexane-1,4-diamine?
4-N-(5-bromothiophen-2-yl)-4-N-methylcyclohexane-1,4-diamine has a molecular weight of 289.24 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-bromothiophen-2-yl)-4-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 115149750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).