2-N-[(5-chlorothiophen-2-yl)methyl]-1-N,2-N,2-trimethylpropane-1,2-diamine

C11H19ClN2S — CID 115132808

IUPAC2-N-[(5-chlorothiophen-2-yl)methyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCNCC(C)(C)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C11H19ClN2S/c1-11(2,8-13-3)14(4)7-9-5-6-10(12)15-9/h5-6,13H,7-8H2,1-4H3
InChIKeyIVPGXKHLQBXFKP-UHFFFAOYSA-N
MW246.81 g/mol
LogP2.83
Rot. Bonds5

About 2-N-[(5-chlorothiophen-2-yl)methyl]-1-N,2-N,2-trimethylpropane-1,2-diamine

2-N-[(5-chlorothiophen-2-yl)methyl]-1-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 115132808) has the molecular formula C11H19ClN2S and a molecular weight of 246.81 g/mol. Its IUPAC name is 2-N-[(5-chlorothiophen-2-yl)methyl]-1-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(5-chlorothiophen-2-yl)methyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID115132808
Molecular FormulaC11H19ClN2S
Molecular Weight246.81 g/mol
Exact Mass246.10
IUPAC Name2-N-[(5-chlorothiophen-2-yl)methyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCNCC(C)(C)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C11H19ClN2S/c1-11(2,8-13-3)14(4)7-9-5-6-10(12)15-9/h5-6,13H,7-8H2,1-4H3
InChIKeyIVPGXKHLQBXFKP-UHFFFAOYSA-N
XLogP2.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.81
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115133007
1-[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]-N-methylmethanamine
CID 107556205
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 107556204
1-N-[(5-chlorothiophen-2-yl)methyl]-1-N,3,3-trimethylbutane-1,2-diamine
CID 112555955
1-(5-chlorothiophen-2-yl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115260926
1-N,2-N,2-trimethyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine
CID 115132783
N-[(5-chlorothiophen-2-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62256088
N-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide
CID 51223592
3-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-(methylamino)propanoic acid
CID 115256176
N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 79196449
N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 65232938
1-N,2-N,2-trimethyl-2-N-[(2,4,5-trimethylphenyl)methyl]propane-1,2-diamine
CID 115132834

Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-chlorothiophen-2-yl)methyl]-1-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[(5-chlorothiophen-2-yl)methyl]-1-N,2-N,2-trimethylpropane-1,2-diamine (CID 115132808) is 2-N-[(5-chlorothiophen-2-yl)methyl]-1-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(5-chlorothiophen-2-yl)methyl]-1-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(5-chlorothiophen-2-yl)methyl]-1-N,2-N,2-trimethylpropane-1,2-diamine is CNCC(C)(C)N(C)Cc1ccc(Cl)s1.
What is the InChIKey of 2-N-[(5-chlorothiophen-2-yl)methyl]-1-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is IVPGXKHLQBXFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2S/c1-11(2,8-13-3)14(4)7-9-5-6-10(12)15-9/h5-6,13H,7-8H2,1-4H3.
What are the key properties of 2-N-[(5-chlorothiophen-2-yl)methyl]-1-N,2-N,2-trimethylpropane-1,2-diamine?
2-N-[(5-chlorothiophen-2-yl)methyl]-1-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 246.81 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5-chlorothiophen-2-yl)methyl]-1-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 115132808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).