N-[1-(5-ethylthiophen-2-yl)ethyl]-7-methyloctan-1-amine

C17H31NS — CID 55198066

IUPACN-[1-(5-ethylthiophen-2-yl)ethyl]-7-methyloctan-1-amine
SMILESCCc1ccc(C(C)NCCCCCCC(C)C)s1
InChIInChI=1S/C17H31NS/c1-5-16-11-12-17(19-16)15(4)18-13-9-7-6-8-10-14(2)3/h11-12,14-15,18H,5-10,13H2,1-4H3
InChIKeyUYYIFUNPVCILPV-UHFFFAOYSA-N
MW281.51 g/mol
LogP5.57
Rot. Bonds10

About N-[1-(5-ethylthiophen-2-yl)ethyl]-7-methyloctan-1-amine

N-[1-(5-ethylthiophen-2-yl)ethyl]-7-methyloctan-1-amine (PubChem CID 55198066) has the molecular formula C17H31NS and a molecular weight of 281.51 g/mol. Its IUPAC name is N-[1-(5-ethylthiophen-2-yl)ethyl]-7-methyloctan-1-amine.

Molecular Properties

Compound NameN-[1-(5-ethylthiophen-2-yl)ethyl]-7-methyloctan-1-amine
PubChem CID55198066
Molecular FormulaC17H31NS
Molecular Weight281.51 g/mol
Exact Mass281.22
IUPAC NameN-[1-(5-ethylthiophen-2-yl)ethyl]-7-methyloctan-1-amine
SMILESCCc1ccc(C(C)NCCCCCCC(C)C)s1
InChIInChI=1S/C17H31NS/c1-5-16-11-12-17(19-16)15(4)18-13-9-7-6-8-10-14(2)3/h11-12,14-15,18H,5-10,13H2,1-4H3
InChIKeyUYYIFUNPVCILPV-UHFFFAOYSA-N
XLogP5.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.51
LogP ≤ 55.57
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-[1-(5-ethylthiophen-2-yl)ethyl]-5,5,5-trifluoropentan-1-amine
CID 113327120
3-cyclohexyloxy-N-[1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 61333751
(1R)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 55277214
1-(5-ethylthiophen-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine
CID 115713770
N-[2-[1-(5-ethylthiophen-2-yl)ethylamino]ethyl]acetamide
CID 61333178
3-[1-(5-ethylthiophen-2-yl)ethylamino]propanamide
CID 61333187
[1-(5-ethylthiophen-2-yl)-5-methylhexyl]hydrazine
CID 105331221
N-[1-(5-methylthiophen-2-yl)ethyl]nonan-1-amine
CID 63490848
N-[1-(5-bromothiophen-2-yl)ethyl]octan-1-amine
CID 115566766
N-[1-(5-methylthiophen-2-yl)ethyl]hexan-1-amine
CID 43109777
N-[1-(5-ethylthiophen-2-yl)ethyl]prop-2-en-1-amine
CID 61334719
N-[1-(5-methylthiophen-2-yl)ethyl]heptan-1-amine
CID 63455494

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]-7-methyloctan-1-amine?
The IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]-7-methyloctan-1-amine (CID 55198066) is N-[1-(5-ethylthiophen-2-yl)ethyl]-7-methyloctan-1-amine.
What is the SMILES notation for N-[1-(5-ethylthiophen-2-yl)ethyl]-7-methyloctan-1-amine?
The canonical SMILES for N-[1-(5-ethylthiophen-2-yl)ethyl]-7-methyloctan-1-amine is CCc1ccc(C(C)NCCCCCCC(C)C)s1.
What is the InChIKey of N-[1-(5-ethylthiophen-2-yl)ethyl]-7-methyloctan-1-amine?
The InChIKey is UYYIFUNPVCILPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NS/c1-5-16-11-12-17(19-16)15(4)18-13-9-7-6-8-10-14(2)3/h11-12,14-15,18H,5-10,13H2,1-4H3.
What are the key properties of N-[1-(5-ethylthiophen-2-yl)ethyl]-7-methyloctan-1-amine?
N-[1-(5-ethylthiophen-2-yl)ethyl]-7-methyloctan-1-amine has a molecular weight of 281.51 g/mol, XLogP of 5.57, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethylthiophen-2-yl)ethyl]-7-methyloctan-1-amine is sourced from PubChem (CID 55198066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).