2,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]butan-1-amine

C12H21NS — CID 64571063

IUPAC2,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]butan-1-amine
SMILESCc1ccc(CNCC(C)C(C)C)s1
InChIInChI=1S/C12H21NS/c1-9(2)10(3)7-13-8-12-6-5-11(4)14-12/h5-6,9-10,13H,7-8H2,1-4H3
InChIKeyQAQWSRQQTQNYNN-UHFFFAOYSA-N
MW211.37 g/mol
LogP3.44
Rot. Bonds5

About 2,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]butan-1-amine

2,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]butan-1-amine (PubChem CID 64571063) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]butan-1-amine
PubChem CID64571063
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Name2,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]butan-1-amine
SMILESCc1ccc(CNCC(C)C(C)C)s1
InChIInChI=1S/C12H21NS/c1-9(2)10(3)7-13-8-12-6-5-11(4)14-12/h5-6,9-10,13H,7-8H2,1-4H3
InChIKeyQAQWSRQQTQNYNN-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutan-1-amine
CID 64570073
3,3-dimethyl-1-N-[(5-methylthiophen-2-yl)methyl]butane-1,2-diamine
CID 112555984
2-methyl-N-[(5-methylthiophen-2-yl)methyl]pentan-1-amine
CID 62054518
3-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-phenylbutan-1-amine
CID 107876117
4-methyl-1-[(5-methylthiophen-2-yl)methylamino]pentan-2-ol
CID 103631692
4-methyl-5-[(5-methylthiophen-2-yl)methylamino]pentan-2-ol
CID 111448862
(2S)-3-[(5-methylthiophen-2-yl)methylamino]propane-1,2-diol
CID 62056240
2-N,2-N-dimethyl-1-N-[(5-methylthiophen-2-yl)methyl]butane-1,2-diamine
CID 115595821
N-[(5-methylthiophen-2-yl)methyl]but-2-yn-1-amine
CID 62310353
1-N-[(5-methylthiophen-2-yl)methyl]butane-1,3-diamine
CID 62056567
(2R)-4-[(5-methylthiophen-2-yl)methylamino]butan-2-ol
CID 96500046
(1R)-2-[(5-methylthiophen-2-yl)methylamino]-1-phenylethanol
CID 7248561

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]butan-1-amine?
The IUPAC name of 2,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]butan-1-amine (CID 64571063) is 2,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]butan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]butan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]butan-1-amine is Cc1ccc(CNCC(C)C(C)C)s1.
What is the InChIKey of 2,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]butan-1-amine?
The InChIKey is QAQWSRQQTQNYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-9(2)10(3)7-13-8-12-6-5-11(4)14-12/h5-6,9-10,13H,7-8H2,1-4H3.
What are the key properties of 2,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]butan-1-amine?
2,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]butan-1-amine has a molecular weight of 211.37 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 64571063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).