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

C11H19NS — CID 64865985

IUPACN-[2-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
SMILESCCCNCCc1cc(C)sc1C
InChIInChI=1S/C11H19NS/c1-4-6-12-7-5-11-8-9(2)13-10(11)3/h8,12H,4-7H2,1-3H3
InChIKeyGOKHBVUPTDNMNP-UHFFFAOYSA-N
MW197.35 g/mol
LogP2.91
Rot. Bonds5

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

N-[2-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine (PubChem CID 64865985) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is N-[2-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
PubChem CID64865985
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC NameN-[2-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
SMILESCCCNCCc1cc(C)sc1C
InChIInChI=1S/C11H19NS/c1-4-6-12-7-5-11-8-9(2)13-10(11)3/h8,12H,4-7H2,1-3H3
InChIKeyGOKHBVUPTDNMNP-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817785
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
N-[(3-methylthiophen-2-yl)methyl]cyclohexanamine
CID 4721499
2-Methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 18377285
N-benzyl(5-methyl-2-thienyl)methanamine
CID 4721388
2-(4-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817787
4H,5H,6H,7H,8H-thieno[2,3-d]azepine
CID 11513777
4-(2-Thienyl)piperidine
CID 19095574
(2,5-Dimethylthiophen-3-yl)methanamine
CID 46784114
2-[[(1-Phenylethyl)amino]methyl]-5-methylthiophene
CID 4715520
8-[5-(4-Aminobutyl)-3-ethylthiophen-2-yl]octan-1-amine
CID 16125736
8-[5-(4-Aminobutyl)-4-methylthiophen-2-yl]octan-1-amine
CID 16125857

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine (CID 64865985) is N-[2-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine is CCCNCCc1cc(C)sc1C.
What is the InChIKey of N-[2-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine?
The InChIKey is GOKHBVUPTDNMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-4-6-12-7-5-11-8-9(2)13-10(11)3/h8,12H,4-7H2,1-3H3.
What are the key properties of N-[2-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine?
N-[2-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine has a molecular weight of 197.35 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 64865985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).