N-butyl-4-thiophen-2-ylbutan-1-amine

C12H21NS — CID 60984563

IUPACN-butyl-4-thiophen-2-ylbutan-1-amine
SMILESCCCCNCCCCc1cccs1
InChIInChI=1S/C12H21NS/c1-2-3-9-13-10-5-4-7-12-8-6-11-14-12/h6,8,11,13H,2-5,7,9-10H2,1H3
InChIKeyNBYOEGZKYKLEDQ-UHFFFAOYSA-N
MW211.37 g/mol
LogP3.46
Rot. Bonds8

About N-butyl-4-thiophen-2-ylbutan-1-amine

N-butyl-4-thiophen-2-ylbutan-1-amine (PubChem CID 60984563) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is N-butyl-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-butyl-4-thiophen-2-ylbutan-1-amine
PubChem CID60984563
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC NameN-butyl-4-thiophen-2-ylbutan-1-amine
SMILESCCCCNCCCCc1cccs1
InChIInChI=1S/C12H21NS/c1-2-3-9-13-10-5-4-7-12-8-6-11-14-12/h6,8,11,13H,2-5,7,9-10H2,1H3
InChIKeyNBYOEGZKYKLEDQ-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 53.46
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

N-butyl-5-thiophen-2-ylpentan-1-amine
CID 83980454
N-ethyl-6-thiophen-2-ylhexan-1-amine
CID 65308427
ethane;2-pentylthiophene
CID 143883800
methane;2-undecylthiophene
CID 175504380
2-(5-thiophen-2-ylpentylamino)ethanol
CID 83980456
N'-tert-butyl-N-(4-thiophen-2-ylbutyl)propane-1,3-diamine
CID 113410415
2-butylthiophene;methanamine
CID 143080300
N'-methyl-N-pentyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62560031
4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 60998116
N'-butyl-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62575943
N'-methyl-N-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
CID 79486499
2-(5-pentoxypentyl)thiophene
CID 91586139

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of N-butyl-4-thiophen-2-ylbutan-1-amine (CID 60984563) is N-butyl-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for N-butyl-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for N-butyl-4-thiophen-2-ylbutan-1-amine is CCCCNCCCCc1cccs1.
What is the InChIKey of N-butyl-4-thiophen-2-ylbutan-1-amine?
The InChIKey is NBYOEGZKYKLEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-2-3-9-13-10-5-4-7-12-8-6-11-14-12/h6,8,11,13H,2-5,7,9-10H2,1H3.
What are the key properties of N-butyl-4-thiophen-2-ylbutan-1-amine?
N-butyl-4-thiophen-2-ylbutan-1-amine has a molecular weight of 211.37 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 60984563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).