N-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine

C11H18ClNS — CID 103698467

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)CNCc1ccc(Cl)s1
InChIInChI=1S/C11H18ClNS/c1-4-11(2,3)8-13-7-9-5-6-10(12)14-9/h5-6,13H,4,7-8H2,1-3H3
InChIKeyUYEZXIYGLBOUQL-UHFFFAOYSA-N
MW231.79 g/mol
LogP3.93
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine

N-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine (PubChem CID 103698467) has the molecular formula C11H18ClNS and a molecular weight of 231.79 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine
PubChem CID103698467
Molecular FormulaC11H18ClNS
Molecular Weight231.79 g/mol
Exact Mass231.08
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)CNCc1ccc(Cl)s1
InChIInChI=1S/C11H18ClNS/c1-4-11(2,3)8-13-7-9-5-6-10(12)14-9/h5-6,13H,4,7-8H2,1-3H3
InChIKeyUYEZXIYGLBOUQL-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.79
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(5-chlorothiophen-2-yl)methylamino]-3,3-dimethylbutanoic acid
CID 115220330
N-[(5-chlorothiophen-2-yl)methyl]-2-methylbutan-2-amine
CID 28565422
N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 78963416
N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 28643425
N-[(5-chlorothiophen-2-yl)methyl]-2-ethylsulfanylethanamine
CID 62576712
N-[(5-chlorothiophen-2-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 28580132
2-[(5-chlorothiophen-2-yl)methylamino]ethanol
CID 28878613
3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol
CID 66025156
2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine
CID 104589139
N-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutan-1-amine
CID 64570073
N-[(5-chlorothiophen-2-yl)methyl]-2-methoxyethanamine
CID 28565625
N-[(5-chlorothiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904677

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine (CID 103698467) is N-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine is CCC(C)(C)CNCc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine?
The InChIKey is UYEZXIYGLBOUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNS/c1-4-11(2,3)8-13-7-9-5-6-10(12)14-9/h5-6,13H,4,7-8H2,1-3H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine?
N-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine has a molecular weight of 231.79 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 103698467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).