2-N-pentylthiophene-2,3-diamine

C9H16N2S — CID 67864240

IUPAC2-N-pentylthiophene-2,3-diamine
SMILESCCCCCNc1sccc1N
InChIInChI=1S/C9H16N2S/c1-2-3-4-6-11-9-8(10)5-7-12-9/h5,7,11H,2-4,6,10H2,1H3
InChIKeyYIYKWWRBYXZPAM-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.93
Rot. Bonds5

About 2-N-pentylthiophene-2,3-diamine

2-N-pentylthiophene-2,3-diamine (PubChem CID 67864240) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 2-N-pentylthiophene-2,3-diamine.

Molecular Properties

Compound Name2-N-pentylthiophene-2,3-diamine
PubChem CID67864240
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name2-N-pentylthiophene-2,3-diamine
SMILESCCCCCNc1sccc1N
InChIInChI=1S/C9H16N2S/c1-2-3-4-6-11-9-8(10)5-7-12-9/h5,7,11H,2-4,6,10H2,1H3
InChIKeyYIYKWWRBYXZPAM-UHFFFAOYSA-N
XLogP2.93
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Thiophenamine, N-hexyl-2-nitro-
CID 3078774
Acetamide, N-(2-(acetylamino)-3-thienyl)-N-butyl-
CID 3078777
Acetamide, N-(2-(acetylamino)-3-thienyl)-N-hexyl-
CID 3078778
Acetamide, N-(2-(acetylamino)-3-thienyl)-N-(2-(dimethylamino)ethyl)-, monohydrochloride
CID 3078787
Acetamide, N-(2-(acetylamino)-3-thienyl)-N-(2-(diethylamino)ethyl)-, monohydrochloride
CID 3078791
Thienylaminobutane
CID 12181159
N-Ethylthiophen-2-amine
CID 15610265
N-(thienyl-2)ethylenediamine
CID 54066601
N-thiophen-2-ylcarbamodithioate;triethylazanium
CID 71718844
2-N,2-N,3-N,3-N-tetraethylthiophene-2,3-diamine
CID 14872419
3-[2-(Thiophen-3-ylamino)ethyl]propane-1,3-diamine
CID 129759298
N-[3-[acetyl-[2-(dimethylamino)ethyl]amino]thiophen-2-yl]acetamide
CID 3078788

Frequently Asked Questions

What is the IUPAC name of 2-N-pentylthiophene-2,3-diamine?
The IUPAC name of 2-N-pentylthiophene-2,3-diamine (CID 67864240) is 2-N-pentylthiophene-2,3-diamine.
What is the SMILES notation for 2-N-pentylthiophene-2,3-diamine?
The canonical SMILES for 2-N-pentylthiophene-2,3-diamine is CCCCCNc1sccc1N.
What is the InChIKey of 2-N-pentylthiophene-2,3-diamine?
The InChIKey is YIYKWWRBYXZPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-2-3-4-6-11-9-8(10)5-7-12-9/h5,7,11H,2-4,6,10H2,1H3.
What are the key properties of 2-N-pentylthiophene-2,3-diamine?
2-N-pentylthiophene-2,3-diamine has a molecular weight of 184.31 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-pentylthiophene-2,3-diamine is sourced from PubChem (CID 67864240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).