1-(5-methylthiophen-2-yl)octan-1-amine

C13H23NS — CID 43125261

IUPAC1-(5-methylthiophen-2-yl)octan-1-amine
SMILESCCCCCCCC(N)c1ccc(C)s1
InChIInChI=1S/C13H23NS/c1-3-4-5-6-7-8-12(14)13-10-9-11(2)15-13/h9-10,12H,3-8,14H2,1-2H3
InChIKeyMFXPIWOEIRJUGC-UHFFFAOYSA-N
MW225.40 g/mol
LogP4.42
Rot. Bonds7

About 1-(5-methylthiophen-2-yl)octan-1-amine

1-(5-methylthiophen-2-yl)octan-1-amine (PubChem CID 43125261) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)octan-1-amine.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)octan-1-amine
PubChem CID43125261
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Name1-(5-methylthiophen-2-yl)octan-1-amine
SMILESCCCCCCCC(N)c1ccc(C)s1
InChIInChI=1S/C13H23NS/c1-3-4-5-6-7-8-12(14)13-10-9-11(2)15-13/h9-10,12H,3-8,14H2,1-2H3
InChIKeyMFXPIWOEIRJUGC-UHFFFAOYSA-N
XLogP4.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 54.42
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

(4S)-4-amino-4-(5-methylthiophen-2-yl)butan-1-ol;hydrochloride
CID 171221924
(1R)-1-(5-methylthiophen-2-yl)propane-1,3-diamine;hydrochloride
CID 171202338
(1S)-1-(5-chlorothiophen-2-yl)hexan-1-amine;hydrochloride
CID 171220112
N-[1-(5-methylthiophen-2-yl)ethyl]nonan-2-amine
CID 63455141
1-thiophen-2-ylundecan-1-amine
CID 63414388
1-thiophen-2-yloctan-1-amine
CID 22115201
1-(5-chloro-4-methylthiophen-2-yl)dodecan-1-amine
CID 102763389
2-amino-2-(5-methylthiophen-2-yl)ethanol
CID 56828532
3-amino-3-(5-methylthiophen-2-yl)propanal
CID 142024929
1-thieno[3,2-b]thiophen-5-ylundecan-1-amine
CID 115846032
1-phenyldecan-1-amine
CID 43175860
N-[1-(5-methylthiophen-2-yl)ethyl]heptan-1-amine
CID 63455494

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)octan-1-amine?
The IUPAC name of 1-(5-methylthiophen-2-yl)octan-1-amine (CID 43125261) is 1-(5-methylthiophen-2-yl)octan-1-amine.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)octan-1-amine?
The canonical SMILES for 1-(5-methylthiophen-2-yl)octan-1-amine is CCCCCCCC(N)c1ccc(C)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)octan-1-amine?
The InChIKey is MFXPIWOEIRJUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-3-4-5-6-7-8-12(14)13-10-9-11(2)15-13/h9-10,12H,3-8,14H2,1-2H3.
What are the key properties of 1-(5-methylthiophen-2-yl)octan-1-amine?
1-(5-methylthiophen-2-yl)octan-1-amine has a molecular weight of 225.40 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)octan-1-amine is sourced from PubChem (CID 43125261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).