N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine

C11H19NS — CID 43200633

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine
SMILESCc1cc(C(C)NC(C)C)c(C)s1
InChIInChI=1S/C11H19NS/c1-7(2)12-9(4)11-6-8(3)13-10(11)5/h6-7,9,12H,1-5H3
InChIKeyWAKAUAFBMKQCCM-UHFFFAOYSA-N
MW197.35 g/mol
LogP3.42
Rot. Bonds3

About N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine (PubChem CID 43200633) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine
PubChem CID43200633
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine
SMILESCc1cc(C(C)NC(C)C)c(C)s1
InChIInChI=1S/C11H19NS/c1-7(2)12-9(4)11-6-8(3)13-10(11)5/h6-7,9,12H,1-5H3
InChIKeyWAKAUAFBMKQCCM-UHFFFAOYSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-thiophen-2-ylethanamine
CID 43206081
1,3-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547
3-(1-bromo-2-methylpropyl)-2,5-dimethylthiophene
CID 61097945
1-cyclopropyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
CID 64919929
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 43751841
ethyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate
CID 61498588
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexanamine
CID 43096415
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
CID 43200455
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 79237148
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 54881873
(1R)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81367633
1-(4-bromo-2-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine
CID 82774817

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine (CID 43200633) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine is Cc1cc(C(C)NC(C)C)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine?
The InChIKey is WAKAUAFBMKQCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-7(2)12-9(4)11-6-8(3)13-10(11)5/h6-7,9,12H,1-5H3.
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine has a molecular weight of 197.35 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine is sourced from PubChem (CID 43200633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).