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

C13H23NS — CID 61473830

IUPAC3,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
SMILESCc1ccc(C(C)NCCC(C)(C)C)s1
InChIInChI=1S/C13H23NS/c1-10-6-7-12(15-10)11(2)14-9-8-13(3,4)5/h6-7,11,14H,8-9H2,1-5H3
InChIKeyFBJQFADQLOEHQI-UHFFFAOYSA-N
MW225.40 g/mol
LogP4.14
Rot. Bonds4

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

3,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine (PubChem CID 61473830) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is 3,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
PubChem CID61473830
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Name3,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
SMILESCc1ccc(C(C)NCCC(C)(C)C)s1
InChIInChI=1S/C13H23NS/c1-10-6-7-12(15-10)11(2)14-9-8-13(3,4)5/h6-7,11,14H,8-9H2,1-5H3
InChIKeyFBJQFADQLOEHQI-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 61469472
2-[[(1R)-1-(5-methylthiophen-2-yl)ethyl]amino]ethanol
CID 93025500
N-(2-fluoroethyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 80694036
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
2,3,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
CID 83141831
N-[1-(5-methylthiophen-2-yl)ethyl]heptan-1-amine
CID 63455494
N-[1-(5-methylthiophen-2-yl)ethyl]hexan-1-amine
CID 43109777
N-[1-(5-methylthiophen-2-yl)ethyl]nonan-1-amine
CID 63490848
3,3-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81398667
2,2,2-trifluoro-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 24696263
3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 61473463
1-(5-methylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 55151709

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine?
The IUPAC name of 3,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine (CID 61473830) is 3,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine is Cc1ccc(C(C)NCCC(C)(C)C)s1.
What is the InChIKey of 3,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine?
The InChIKey is FBJQFADQLOEHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-10-6-7-12(15-10)11(2)14-9-8-13(3,4)5/h6-7,11,14H,8-9H2,1-5H3.
What are the key properties of 3,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine?
3,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine has a molecular weight of 225.40 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine is sourced from PubChem (CID 61473830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).