N-(5-chlorothiophen-2-yl)-N,2,2-trimethylbutane-1,4-diamine

C11H19ClN2S — CID 115204304

IUPACN-(5-chlorothiophen-2-yl)-N,2,2-trimethylbutane-1,4-diamine
SMILESCN(CC(C)(C)CCN)c1ccc(Cl)s1
InChIInChI=1S/C11H19ClN2S/c1-11(2,6-7-13)8-14(3)10-5-4-9(12)15-10/h4-5H,6-8,13H2,1-3H3
InChIKeyMGIVINXRBYJXHM-UHFFFAOYSA-N
MW246.81 g/mol
LogP3.21
Rot. Bonds5

About N-(5-chlorothiophen-2-yl)-N,2,2-trimethylbutane-1,4-diamine

N-(5-chlorothiophen-2-yl)-N,2,2-trimethylbutane-1,4-diamine (PubChem CID 115204304) has the molecular formula C11H19ClN2S and a molecular weight of 246.81 g/mol. Its IUPAC name is N-(5-chlorothiophen-2-yl)-N,2,2-trimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(5-chlorothiophen-2-yl)-N,2,2-trimethylbutane-1,4-diamine
PubChem CID115204304
Molecular FormulaC11H19ClN2S
Molecular Weight246.81 g/mol
Exact Mass246.10
IUPAC NameN-(5-chlorothiophen-2-yl)-N,2,2-trimethylbutane-1,4-diamine
SMILESCN(CC(C)(C)CCN)c1ccc(Cl)s1
InChIInChI=1S/C11H19ClN2S/c1-11(2,6-7-13)8-14(3)10-5-4-9(12)15-10/h4-5H,6-8,13H2,1-3H3
InChIKeyMGIVINXRBYJXHM-UHFFFAOYSA-N
XLogP3.21
TPSA29.26 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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(5-chlorothiophen-2-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115222109
N'-(5-chlorothiophen-2-yl)-N,N'-dimethylmethanediamine
CID 115226650
4-amino-1-[(5-chlorothiophen-2-yl)-methylamino]butan-2-ol
CID 117039086
2-N-(5-chlorothiophen-2-yl)-2-N-methylpropane-1,2-diamine
CID 117039872
N,2,2-trimethyl-N-(5-methylfuran-2-yl)butane-1,4-diamine
CID 115204362
N-(3,4-difluorophenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204315
N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylbutane-1,4-diamine
CID 114285473
N-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204284
N'-[(5-chlorothiophen-2-yl)methyl]-N',2,2-trimethylpentane-1,5-diamine
CID 65253875
N-(3-fluorophenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204355
N'-(5-chlorothiophen-2-yl)-N,N'-dimethylbutane-1,4-diamine
CID 115201788
N-(2,3-dihydro-1H-inden-5-yl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204299

Frequently Asked Questions

What is the IUPAC name of N-(5-chlorothiophen-2-yl)-N,2,2-trimethylbutane-1,4-diamine?
The IUPAC name of N-(5-chlorothiophen-2-yl)-N,2,2-trimethylbutane-1,4-diamine (CID 115204304) is N-(5-chlorothiophen-2-yl)-N,2,2-trimethylbutane-1,4-diamine.
What is the SMILES notation for N-(5-chlorothiophen-2-yl)-N,2,2-trimethylbutane-1,4-diamine?
The canonical SMILES for N-(5-chlorothiophen-2-yl)-N,2,2-trimethylbutane-1,4-diamine is CN(CC(C)(C)CCN)c1ccc(Cl)s1.
What is the InChIKey of N-(5-chlorothiophen-2-yl)-N,2,2-trimethylbutane-1,4-diamine?
The InChIKey is MGIVINXRBYJXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2S/c1-11(2,6-7-13)8-14(3)10-5-4-9(12)15-10/h4-5H,6-8,13H2,1-3H3.
What are the key properties of N-(5-chlorothiophen-2-yl)-N,2,2-trimethylbutane-1,4-diamine?
N-(5-chlorothiophen-2-yl)-N,2,2-trimethylbutane-1,4-diamine has a molecular weight of 246.81 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chlorothiophen-2-yl)-N,2,2-trimethylbutane-1,4-diamine is sourced from PubChem (CID 115204304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).