N-ethyl-4-(5-methylthiophen-2-yl)butan-1-amine

C11H19NS — CID 65305315

IUPACN-ethyl-4-(5-methylthiophen-2-yl)butan-1-amine
SMILESCCNCCCCc1ccc(C)s1
InChIInChI=1S/C11H19NS/c1-3-12-9-5-4-6-11-8-7-10(2)13-11/h7-8,12H,3-6,9H2,1-2H3
InChIKeyITYOYRWYKGASBS-UHFFFAOYSA-N
MW197.35 g/mol
LogP2.99
Rot. Bonds6

About N-ethyl-4-(5-methylthiophen-2-yl)butan-1-amine

N-ethyl-4-(5-methylthiophen-2-yl)butan-1-amine (PubChem CID 65305315) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is N-ethyl-4-(5-methylthiophen-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(5-methylthiophen-2-yl)butan-1-amine
PubChem CID65305315
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC NameN-ethyl-4-(5-methylthiophen-2-yl)butan-1-amine
SMILESCCNCCCCc1ccc(C)s1
InChIInChI=1S/C11H19NS/c1-3-12-9-5-4-6-11-8-7-10(2)13-11/h7-8,12H,3-6,9H2,1-2H3
InChIKeyITYOYRWYKGASBS-UHFFFAOYSA-N
XLogP2.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 52.99
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

4-(5-methylthiophen-2-yl)-N-propylbutan-1-amine
CID 65305267
N-(2-methylpropyl)-4-(5-methylthiophen-2-yl)butan-1-amine
CID 65305317
N-[6-(5-methylthiophen-2-yl)hexyl]cyclopropanamine
CID 65308377
3-(5-methylthiophen-2-yl)propane-1-thiol
CID 83929233
N-ethyl-6-thiophen-2-ylhexan-1-amine
CID 65308427
4-(5-ethylthiophen-2-yl)-N-(2-methylpropyl)butan-1-amine
CID 64504459
N-ethyl-4-(4-propylphenyl)butan-1-amine
CID 65305630
5-[(5-methylthiophen-2-yl)methylamino]pentanenitrile
CID 62056210
2-(5-methylthiophen-2-yl)ethanethiol
CID 55274892
2,2-dimethyl-4-(5-methylthiophen-2-yl)-N-propylbutan-1-amine
CID 65308375
1-chloro-5-(5-methylthiophen-2-yl)pentan-2-one
CID 122630077
4-[3-[(5-methylthiophen-2-yl)methylamino]propyl]aniline
CID 113290666

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(5-methylthiophen-2-yl)butan-1-amine?
The IUPAC name of N-ethyl-4-(5-methylthiophen-2-yl)butan-1-amine (CID 65305315) is N-ethyl-4-(5-methylthiophen-2-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-4-(5-methylthiophen-2-yl)butan-1-amine?
The canonical SMILES for N-ethyl-4-(5-methylthiophen-2-yl)butan-1-amine is CCNCCCCc1ccc(C)s1.
What is the InChIKey of N-ethyl-4-(5-methylthiophen-2-yl)butan-1-amine?
The InChIKey is ITYOYRWYKGASBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-3-12-9-5-4-6-11-8-7-10(2)13-11/h7-8,12H,3-6,9H2,1-2H3.
What are the key properties of N-ethyl-4-(5-methylthiophen-2-yl)butan-1-amine?
N-ethyl-4-(5-methylthiophen-2-yl)butan-1-amine has a molecular weight of 197.35 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(5-methylthiophen-2-yl)butan-1-amine is sourced from PubChem (CID 65305315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).