N-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutan-1-amine

C11H18ClNS — CID 64570073

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)CNCc1ccc(Cl)s1
InChIInChI=1S/C11H18ClNS/c1-8(2)9(3)6-13-7-10-4-5-11(12)14-10/h4-5,8-9,13H,6-7H2,1-3H3
InChIKeyZQHJDKIZZQBCGE-UHFFFAOYSA-N
MW231.79 g/mol
LogP3.78
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutan-1-amine

N-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutan-1-amine (PubChem CID 64570073) has the molecular formula C11H18ClNS and a molecular weight of 231.79 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutan-1-amine
PubChem CID64570073
Molecular FormulaC11H18ClNS
Molecular Weight231.79 g/mol
Exact Mass231.08
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)CNCc1ccc(Cl)s1
InChIInChI=1S/C11H18ClNS/c1-8(2)9(3)6-13-7-10-4-5-11(12)14-10/h4-5,8-9,13H,6-7H2,1-3H3
InChIKeyZQHJDKIZZQBCGE-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904677
2,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]butan-1-amine
CID 64571063
1-N-[(5-chlorothiophen-2-yl)methyl]-2-N,2-N-diethylpropane-1,2-diamine
CID 115581225
N-[(5-chlorothiophen-2-yl)methyl]-2-methylsulfinylpropan-1-amine
CID 115763950
1-N-[(5-chlorothiophen-2-yl)methyl]-2-methylheptane-1,6-diamine
CID 65295684
N-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 62567503
1-(5-chlorothiophen-2-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724290
N-[(5-chlorothiophen-2-yl)methyl]-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine
CID 62554509
1-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpentan-3-amine
CID 106353765
2-[(5-chlorothiophen-2-yl)methylamino]ethanol
CID 28878613
2-[(5-chlorothiophen-2-yl)methylamino]-1-cyclopentylethanol
CID 111425399
N-[(5-chlorothiophen-2-yl)methyl]-2-methoxyethanamine
CID 28565625

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutan-1-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutan-1-amine (CID 64570073) is N-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutan-1-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutan-1-amine is CC(C)C(C)CNCc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutan-1-amine?
The InChIKey is ZQHJDKIZZQBCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNS/c1-8(2)9(3)6-13-7-10-4-5-11(12)14-10/h4-5,8-9,13H,6-7H2,1-3H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutan-1-amine?
N-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutan-1-amine has a molecular weight of 231.79 g/mol, XLogP of 3.78, 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]-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 64570073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).