N,N,3,3-tetramethyl-2-(3-methylthiophen-2-yl)butan-1-amine

C13H23NS — CID 170129481

IUPACN,N,3,3-tetramethyl-2-(3-methylthiophen-2-yl)butan-1-amine
SMILESCc1ccsc1C(CN(C)C)C(C)(C)C
InChIInChI=1S/C13H23NS/c1-10-7-8-15-12(10)11(9-14(5)6)13(2,3)4/h7-8,11H,9H2,1-6H3
InChIKeyBYQQZSHBQSSSTD-UHFFFAOYSA-N
MW225.40 g/mol
LogP3.75
Rot. Bonds3

About N,N,3,3-tetramethyl-2-(3-methylthiophen-2-yl)butan-1-amine

N,N,3,3-tetramethyl-2-(3-methylthiophen-2-yl)butan-1-amine (PubChem CID 170129481) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is N,N,3,3-tetramethyl-2-(3-methylthiophen-2-yl)butan-1-amine.

Molecular Properties

Compound NameN,N,3,3-tetramethyl-2-(3-methylthiophen-2-yl)butan-1-amine
PubChem CID170129481
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC NameN,N,3,3-tetramethyl-2-(3-methylthiophen-2-yl)butan-1-amine
SMILESCc1ccsc1C(CN(C)C)C(C)(C)C
InChIInChI=1S/C13H23NS/c1-10-7-8-15-12(10)11(9-14(5)6)13(2,3)4/h7-8,11H,9H2,1-6H3
InChIKeyBYQQZSHBQSSSTD-UHFFFAOYSA-N
XLogP3.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]propane-1,2-diamine
CID 82946292
1-[[2-amino-1-(3-methylthiophen-2-yl)ethyl]-methylamino]-2-methylpropan-2-ol
CID 79384371
N-[2-(dimethylamino)ethyl]-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 63693012
N-methyl-N-(3-methylbutan-2-yl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 43569808
4,4,4-trifluoro-3-(3-methylthiophen-2-yl)butan-1-amine
CID 83917879
1-N,1-N-dimethyl-1-(3-methylthiophen-2-yl)pentane-1,4-diamine
CID 116905642
3-(dimethylamino)-3-(3-methylthiophen-2-yl)propanoic acid
CID 64526594
3-methyl-2-(3-methylthiophen-2-yl)butan-1-ol
CID 116964294
1-hydrazinyl-N,N,2-trimethyl-1-(3-methylthiophen-2-yl)butan-2-amine
CID 105240611
N,N-dimethyl-1-(3-methylthiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116913540
2-(1-chloro-2-methylpropyl)-3-methylthiophene
CID 126973864
1-methoxy-N,N-dimethyl-1-(3-methylthiophen-2-yl)methanamine
CID 116914575

Frequently Asked Questions

What is the IUPAC name of N,N,3,3-tetramethyl-2-(3-methylthiophen-2-yl)butan-1-amine?
The IUPAC name of N,N,3,3-tetramethyl-2-(3-methylthiophen-2-yl)butan-1-amine (CID 170129481) is N,N,3,3-tetramethyl-2-(3-methylthiophen-2-yl)butan-1-amine.
What is the SMILES notation for N,N,3,3-tetramethyl-2-(3-methylthiophen-2-yl)butan-1-amine?
The canonical SMILES for N,N,3,3-tetramethyl-2-(3-methylthiophen-2-yl)butan-1-amine is Cc1ccsc1C(CN(C)C)C(C)(C)C.
What is the InChIKey of N,N,3,3-tetramethyl-2-(3-methylthiophen-2-yl)butan-1-amine?
The InChIKey is BYQQZSHBQSSSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-10-7-8-15-12(10)11(9-14(5)6)13(2,3)4/h7-8,11H,9H2,1-6H3.
What are the key properties of N,N,3,3-tetramethyl-2-(3-methylthiophen-2-yl)butan-1-amine?
N,N,3,3-tetramethyl-2-(3-methylthiophen-2-yl)butan-1-amine has a molecular weight of 225.40 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3,3-tetramethyl-2-(3-methylthiophen-2-yl)butan-1-amine is sourced from PubChem (CID 170129481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).