N-butyl-5-thiophen-2-ylpentan-1-amine

C13H23NS — CID 83980454

IUPACN-butyl-5-thiophen-2-ylpentan-1-amine
SMILESCCCCNCCCCCc1cccs1
InChIInChI=1S/C13H23NS/c1-2-3-10-14-11-6-4-5-8-13-9-7-12-15-13/h7,9,12,14H,2-6,8,10-11H2,1H3
InChIKeyVHJBLONFVLBLIW-UHFFFAOYSA-N
MW225.40 g/mol
LogP3.85
Rot. Bonds9

About N-butyl-5-thiophen-2-ylpentan-1-amine

N-butyl-5-thiophen-2-ylpentan-1-amine (PubChem CID 83980454) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is N-butyl-5-thiophen-2-ylpentan-1-amine.

Molecular Properties

Compound NameN-butyl-5-thiophen-2-ylpentan-1-amine
PubChem CID83980454
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC NameN-butyl-5-thiophen-2-ylpentan-1-amine
SMILESCCCCNCCCCCc1cccs1
InChIInChI=1S/C13H23NS/c1-2-3-10-14-11-6-4-5-8-13-9-7-12-15-13/h7,9,12,14H,2-6,8,10-11H2,1H3
InChIKeyVHJBLONFVLBLIW-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 53.85
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-4-thiophen-2-ylbutan-1-amine
CID 60984563
N-ethyl-6-thiophen-2-ylhexan-1-amine
CID 65308427
methane;2-undecylthiophene
CID 175504380
2-(5-thiophen-2-ylpentylamino)ethanol
CID 83980456
ethane;2-pentylthiophene
CID 143883800
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
2-(5-pentoxypentyl)thiophene
CID 91586139
N-propan-2-yl-6-thiophen-2-ylhexan-1-amine
CID 65308474
4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 60998116
N-hexyl-4-thiophen-2-ylbutanamide
CID 134055852

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-thiophen-2-ylpentan-1-amine?
The IUPAC name of N-butyl-5-thiophen-2-ylpentan-1-amine (CID 83980454) is N-butyl-5-thiophen-2-ylpentan-1-amine.
What is the SMILES notation for N-butyl-5-thiophen-2-ylpentan-1-amine?
The canonical SMILES for N-butyl-5-thiophen-2-ylpentan-1-amine is CCCCNCCCCCc1cccs1.
What is the InChIKey of N-butyl-5-thiophen-2-ylpentan-1-amine?
The InChIKey is VHJBLONFVLBLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-2-3-10-14-11-6-4-5-8-13-9-7-12-15-13/h7,9,12,14H,2-6,8,10-11H2,1H3.
What are the key properties of N-butyl-5-thiophen-2-ylpentan-1-amine?
N-butyl-5-thiophen-2-ylpentan-1-amine has a molecular weight of 225.40 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-thiophen-2-ylpentan-1-amine is sourced from PubChem (CID 83980454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).