1-N-[(5-bromothiophen-2-yl)methyl]-1-N-methylpentane-1,4-diamine

C11H19BrN2S — CID 115203922

IUPAC1-N-[(5-bromothiophen-2-yl)methyl]-1-N-methylpentane-1,4-diamine
SMILESCC(N)CCCN(C)Cc1ccc(Br)s1
InChIInChI=1S/C11H19BrN2S/c1-9(13)4-3-7-14(2)8-10-5-6-11(12)15-10/h5-6,9H,3-4,7-8,13H2,1-2H3
InChIKeyFRCKWCKJBBJHKA-UHFFFAOYSA-N
MW291.26 g/mol
LogP3.07
Rot. Bonds6

About 1-N-[(5-bromothiophen-2-yl)methyl]-1-N-methylpentane-1,4-diamine

1-N-[(5-bromothiophen-2-yl)methyl]-1-N-methylpentane-1,4-diamine (PubChem CID 115203922) has the molecular formula C11H19BrN2S and a molecular weight of 291.26 g/mol. Its IUPAC name is 1-N-[(5-bromothiophen-2-yl)methyl]-1-N-methylpentane-1,4-diamine.

Molecular Properties

Compound Name1-N-[(5-bromothiophen-2-yl)methyl]-1-N-methylpentane-1,4-diamine
PubChem CID115203922
Molecular FormulaC11H19BrN2S
Molecular Weight291.26 g/mol
Exact Mass290.05
IUPAC Name1-N-[(5-bromothiophen-2-yl)methyl]-1-N-methylpentane-1,4-diamine
SMILESCC(N)CCCN(C)Cc1ccc(Br)s1
InChIInChI=1S/C11H19BrN2S/c1-9(13)4-3-7-14(2)8-10-5-6-11(12)15-10/h5-6,9H,3-4,7-8,13H2,1-2H3
InChIKeyFRCKWCKJBBJHKA-UHFFFAOYSA-N
XLogP3.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylpentanamide
CID 115156744
3-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylbutanamide;hydrochloride
CID 119688978
1-[(5-bromothiophen-2-yl)methyl-methylamino]propan-2-ol
CID 62332796
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N,N-dimethylacetamide
CID 60670568
methyl 3-[(5-bromothiophen-2-yl)methyl-methylamino]-2-methylpropanoate
CID 55028537
5-amino-N-[(5-bromothiophen-2-yl)methyl]hexanamide
CID 82852008
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine
CID 78989434
2-amino-N-[(5-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide;hydrochloride
CID 119270973
N'-[2-(5-bromothiophen-2-yl)ethyl]-N'-methylpropane-1,3-diamine
CID 115197440
4-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2-dimethylbutanamide
CID 115156082
2-[(5-bromothiophen-2-yl)methyl-methylamino]propanoic acid
CID 62638904
1-N-[(4-ethylsulfanylphenyl)methyl]-1-N-methylpentane-1,4-diamine
CID 115203954

Frequently Asked Questions

What is the IUPAC name of 1-N-[(5-bromothiophen-2-yl)methyl]-1-N-methylpentane-1,4-diamine?
The IUPAC name of 1-N-[(5-bromothiophen-2-yl)methyl]-1-N-methylpentane-1,4-diamine (CID 115203922) is 1-N-[(5-bromothiophen-2-yl)methyl]-1-N-methylpentane-1,4-diamine.
What is the SMILES notation for 1-N-[(5-bromothiophen-2-yl)methyl]-1-N-methylpentane-1,4-diamine?
The canonical SMILES for 1-N-[(5-bromothiophen-2-yl)methyl]-1-N-methylpentane-1,4-diamine is CC(N)CCCN(C)Cc1ccc(Br)s1.
What is the InChIKey of 1-N-[(5-bromothiophen-2-yl)methyl]-1-N-methylpentane-1,4-diamine?
The InChIKey is FRCKWCKJBBJHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2S/c1-9(13)4-3-7-14(2)8-10-5-6-11(12)15-10/h5-6,9H,3-4,7-8,13H2,1-2H3.
What are the key properties of 1-N-[(5-bromothiophen-2-yl)methyl]-1-N-methylpentane-1,4-diamine?
1-N-[(5-bromothiophen-2-yl)methyl]-1-N-methylpentane-1,4-diamine has a molecular weight of 291.26 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(5-bromothiophen-2-yl)methyl]-1-N-methylpentane-1,4-diamine is sourced from PubChem (CID 115203922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).