2-N-[(3-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine

C9H15BrN2S — CID 119924744

IUPAC2-N-[(3-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine
SMILESCC(CN)N(C)Cc1sccc1Br
InChIInChI=1S/C9H15BrN2S/c1-7(5-11)12(2)6-9-8(10)3-4-13-9/h3-4,7H,5-6,11H2,1-2H3
InChIKeyWLPCDLQMGCHDOX-UHFFFAOYSA-N
MW263.20 g/mol
LogP2.29
Rot. Bonds4

About 2-N-[(3-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine

2-N-[(3-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine (PubChem CID 119924744) has the molecular formula C9H15BrN2S and a molecular weight of 263.20 g/mol. Its IUPAC name is 2-N-[(3-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(3-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine
PubChem CID119924744
Molecular FormulaC9H15BrN2S
Molecular Weight263.20 g/mol
Exact Mass262.01
IUPAC Name2-N-[(3-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine
SMILESCC(CN)N(C)Cc1sccc1Br
InChIInChI=1S/C9H15BrN2S/c1-7(5-11)12(2)6-9-8(10)3-4-13-9/h3-4,7H,5-6,11H2,1-2H3
InChIKeyWLPCDLQMGCHDOX-UHFFFAOYSA-N
XLogP2.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.20
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-[(3-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine (CID 119924744) is 2-N-[(3-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(3-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(3-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine is CC(CN)N(C)Cc1sccc1Br.
What is the InChIKey of 2-N-[(3-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine?
The InChIKey is WLPCDLQMGCHDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2S/c1-7(5-11)12(2)6-9-8(10)3-4-13-9/h3-4,7H,5-6,11H2,1-2H3.
What are the key properties of 2-N-[(3-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine?
2-N-[(3-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine has a molecular weight of 263.20 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 119924744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).