2-(3-pentylthiophen-2-yl)propan-1-amine

C12H21NS — CID 142603244

IUPAC2-(3-pentylthiophen-2-yl)propan-1-amine
SMILESCCCCCc1ccsc1C(C)CN
InChIInChI=1S/C12H21NS/c1-3-4-5-6-11-7-8-14-12(11)10(2)9-13/h7-8,10H,3-6,9,13H2,1-2H3
InChIKeyRTCOIKAAFDUFAM-UHFFFAOYSA-N
MW211.37 g/mol
LogP3.54
Rot. Bonds6

About 2-(3-pentylthiophen-2-yl)propan-1-amine

2-(3-pentylthiophen-2-yl)propan-1-amine (PubChem CID 142603244) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is 2-(3-pentylthiophen-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(3-pentylthiophen-2-yl)propan-1-amine
PubChem CID142603244
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Name2-(3-pentylthiophen-2-yl)propan-1-amine
SMILESCCCCCc1ccsc1C(C)CN
InChIInChI=1S/C12H21NS/c1-3-4-5-6-11-7-8-14-12(11)10(2)9-13/h7-8,10H,3-6,9,13H2,1-2H3
InChIKeyRTCOIKAAFDUFAM-UHFFFAOYSA-N
XLogP3.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 53.54
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

2-[1-(3-hexylthiophen-2-yl)ethylsulfanyl]thiophen-3-amine
CID 91595999
3-pentyl-2-(3-pentylthiophen-2-yl)thiophene
CID 86066815
4-amino-1-(3-butylthiophen-2-yl)butane-1,2-diol
CID 171881085
3-undecyl-2-[(E)-2-(3-undecylthiophen-2-yl)ethenyl]thiophene
CID 141420064
3-(3-hexylthiophen-2-yl)-2,3-dihydroxypropanenitrile
CID 171870744
2,3-didodecylthiophene
CID 66897470
2-bromo-3-icosylthiophene
CID 141267982
(3-nonylthiophen-2-yl)phosphane
CID 21095664
2-bromo-3-dodecylthiophene
CID 10426816
2-nitroso-3-pentylthiophene
CID 175606444
1-(3-ethylthiophen-2-yl)hexan-1-amine
CID 115837119
3-dodecylthiophene-2-sulfonamide
CID 154311081

Frequently Asked Questions

What is the IUPAC name of 2-(3-pentylthiophen-2-yl)propan-1-amine?
The IUPAC name of 2-(3-pentylthiophen-2-yl)propan-1-amine (CID 142603244) is 2-(3-pentylthiophen-2-yl)propan-1-amine.
What is the SMILES notation for 2-(3-pentylthiophen-2-yl)propan-1-amine?
The canonical SMILES for 2-(3-pentylthiophen-2-yl)propan-1-amine is CCCCCc1ccsc1C(C)CN.
What is the InChIKey of 2-(3-pentylthiophen-2-yl)propan-1-amine?
The InChIKey is RTCOIKAAFDUFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-3-4-5-6-11-7-8-14-12(11)10(2)9-13/h7-8,10H,3-6,9,13H2,1-2H3.
What are the key properties of 2-(3-pentylthiophen-2-yl)propan-1-amine?
2-(3-pentylthiophen-2-yl)propan-1-amine has a molecular weight of 211.37 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pentylthiophen-2-yl)propan-1-amine is sourced from PubChem (CID 142603244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).