2-[5-(2-aminopropan-2-yl)-4-hexylthiophen-2-yl]propan-2-amine

C16H30N2S — CID 163800543

IUPAC2-[5-(2-aminopropan-2-yl)-4-hexylthiophen-2-yl]propan-2-amine
SMILESCCCCCCc1cc(C(C)(C)N)sc1C(C)(C)N
InChIInChI=1S/C16H30N2S/c1-6-7-8-9-10-12-11-13(15(2,3)17)19-14(12)16(4,5)18/h11H,6-10,17-18H2,1-5H3
InChIKeyNEOMNRFUHYLMLN-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.26
Rot. Bonds7

About 2-[5-(2-aminopropan-2-yl)-4-hexylthiophen-2-yl]propan-2-amine

2-[5-(2-aminopropan-2-yl)-4-hexylthiophen-2-yl]propan-2-amine (PubChem CID 163800543) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is 2-[5-(2-aminopropan-2-yl)-4-hexylthiophen-2-yl]propan-2-amine.

Molecular Properties

Compound Name2-[5-(2-aminopropan-2-yl)-4-hexylthiophen-2-yl]propan-2-amine
PubChem CID163800543
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC Name2-[5-(2-aminopropan-2-yl)-4-hexylthiophen-2-yl]propan-2-amine
SMILESCCCCCCc1cc(C(C)(C)N)sc1C(C)(C)N
InChIInChI=1S/C16H30N2S/c1-6-7-8-9-10-12-11-13(15(2,3)17)19-14(12)16(4,5)18/h11H,6-10,17-18H2,1-5H3
InChIKeyNEOMNRFUHYLMLN-UHFFFAOYSA-N
XLogP4.26
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.26
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

3,4-didecylthiophene
CID 21200004
8,9,22,23-tetradodecylheptacyclo[14.12.0.02,15.04,13.06,11.018,27.020,25]octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecaene
CID 46220875
5-bromo-2-(5-bromo-3-octylthiophen-2-yl)-3-octylthiophene
CID 86180196
2-(2-octylphenyl)propan-2-amine;hydrobromide
CID 173314591
4,5-didecylbenzene-1,2-diol
CID 15667809
1,2-diethynyl-4,5-dioctylbenzene
CID 102129022
4,5-diheptylbenzene-1,2-dicarbonitrile
CID 10947312
1,2-diethynyl-4,5-dihexylbenzene
CID 10469738
2-(3-hexadecyl-2-methylphenyl)propan-2-amine
CID 175123054
sodium;2-(2-dodecylphenyl)propan-2-amine;hydride;hydrochloride
CID 173446112
2,3,6,7,9,10-hexaheptylanthracene
CID 14089080
1,4-bis(chloromethyl)-2,5-didodecylbenzene
CID 71381372

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-aminopropan-2-yl)-4-hexylthiophen-2-yl]propan-2-amine?
The IUPAC name of 2-[5-(2-aminopropan-2-yl)-4-hexylthiophen-2-yl]propan-2-amine (CID 163800543) is 2-[5-(2-aminopropan-2-yl)-4-hexylthiophen-2-yl]propan-2-amine.
What is the SMILES notation for 2-[5-(2-aminopropan-2-yl)-4-hexylthiophen-2-yl]propan-2-amine?
The canonical SMILES for 2-[5-(2-aminopropan-2-yl)-4-hexylthiophen-2-yl]propan-2-amine is CCCCCCc1cc(C(C)(C)N)sc1C(C)(C)N.
What is the InChIKey of 2-[5-(2-aminopropan-2-yl)-4-hexylthiophen-2-yl]propan-2-amine?
The InChIKey is NEOMNRFUHYLMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-6-7-8-9-10-12-11-13(15(2,3)17)19-14(12)16(4,5)18/h11H,6-10,17-18H2,1-5H3.
What are the key properties of 2-[5-(2-aminopropan-2-yl)-4-hexylthiophen-2-yl]propan-2-amine?
2-[5-(2-aminopropan-2-yl)-4-hexylthiophen-2-yl]propan-2-amine has a molecular weight of 282.50 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-aminopropan-2-yl)-4-hexylthiophen-2-yl]propan-2-amine is sourced from PubChem (CID 163800543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).