N'-(4-bromothiophen-2-yl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine

C11H19BrN2S — CID 115252422

IUPACN'-(4-bromothiophen-2-yl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CN(C)c1cc(Br)cs1
InChIInChI=1S/C11H19BrN2S/c1-8(2)9(5-13)6-14(3)11-4-10(12)7-15-11/h4,7-9H,5-6,13H2,1-3H3
InChIKeyMJLCAQDXIGIXDV-UHFFFAOYSA-N
MW291.26 g/mol
LogP3.18
Rot. Bonds5

About N'-(4-bromothiophen-2-yl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine

N'-(4-bromothiophen-2-yl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine (PubChem CID 115252422) has the molecular formula C11H19BrN2S and a molecular weight of 291.26 g/mol. Its IUPAC name is N'-(4-bromothiophen-2-yl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-bromothiophen-2-yl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
PubChem CID115252422
Molecular FormulaC11H19BrN2S
Molecular Weight291.26 g/mol
Exact Mass290.05
IUPAC NameN'-(4-bromothiophen-2-yl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CN(C)c1cc(Br)cs1
InChIInChI=1S/C11H19BrN2S/c1-8(2)9(5-13)6-14(3)11-4-10(12)7-15-11/h4,7-9H,5-6,13H2,1-3H3
InChIKeyMJLCAQDXIGIXDV-UHFFFAOYSA-N
XLogP3.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-[(4-bromothiophen-2-yl)-methylamino]propan-2-ol
CID 115121258
N'-(4-bromophenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252380
2-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-1-amine
CID 62504678
4-bromo-N-ethyl-N-methylthiophen-2-amine
CID 115259321
4-bromo-N-methyl-N-(2-piperazin-1-ylpropyl)thiophen-2-amine
CID 115255664
4-[(4-bromothiophen-2-yl)-methylamino]-2-methylbutanoic acid
CID 115220647
N'-[2-(4-bromothiophen-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252576
N'-[(5-bromo-2-methylphenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252546
2-amino-4-[(4-bromothiophen-2-yl)-methylamino]butanoic acid
CID 115241127
2-N-[(4-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride
CID 119924812
4-(4-bromothiophen-2-yl)-2,3-dimethylbutan-1-amine
CID 81009780
5-[[(4-bromothiophen-2-yl)-methylamino]methyl]-1H-pyrazol-3-amine
CID 117038672

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromothiophen-2-yl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-(4-bromothiophen-2-yl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine (CID 115252422) is N'-(4-bromothiophen-2-yl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(4-bromothiophen-2-yl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-(4-bromothiophen-2-yl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine is CC(C)C(CN)CN(C)c1cc(Br)cs1.
What is the InChIKey of N'-(4-bromothiophen-2-yl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is MJLCAQDXIGIXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2S/c1-8(2)9(5-13)6-14(3)11-4-10(12)7-15-11/h4,7-9H,5-6,13H2,1-3H3.
What are the key properties of N'-(4-bromothiophen-2-yl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
N'-(4-bromothiophen-2-yl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 291.26 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromothiophen-2-yl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 115252422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).