N-ethyl-1-(5-ethylthiophen-2-yl)decan-2-amine

C18H33NS — CID 115842720

IUPACN-ethyl-1-(5-ethylthiophen-2-yl)decan-2-amine
SMILESCCCCCCCCC(Cc1ccc(CC)s1)NCC
InChIInChI=1S/C18H33NS/c1-4-7-8-9-10-11-12-16(19-6-3)15-18-14-13-17(5-2)20-18/h13-14,16,19H,4-12,15H2,1-3H3
InChIKeyIGULOYCNUDVUNC-UHFFFAOYSA-N
MW295.54 g/mol
LogP5.58
Rot. Bonds12

About N-ethyl-1-(5-ethylthiophen-2-yl)decan-2-amine

N-ethyl-1-(5-ethylthiophen-2-yl)decan-2-amine (PubChem CID 115842720) has the molecular formula C18H33NS and a molecular weight of 295.54 g/mol. Its IUPAC name is N-ethyl-1-(5-ethylthiophen-2-yl)decan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(5-ethylthiophen-2-yl)decan-2-amine
PubChem CID115842720
Molecular FormulaC18H33NS
Molecular Weight295.54 g/mol
Exact Mass295.23
IUPAC NameN-ethyl-1-(5-ethylthiophen-2-yl)decan-2-amine
SMILESCCCCCCCCC(Cc1ccc(CC)s1)NCC
InChIInChI=1S/C18H33NS/c1-4-7-8-9-10-11-12-16(19-6-3)15-18-14-13-17(5-2)20-18/h13-14,16,19H,4-12,15H2,1-3H3
InChIKeyIGULOYCNUDVUNC-UHFFFAOYSA-N
XLogP5.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.54
LogP ≤ 55.58
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

1-(5-ethylthiophen-2-yl)decan-2-ylhydrazine
CID 105296454
N-ethyl-1-(5-ethylthiophen-2-yl)-5-methoxypentan-2-amine
CID 65092166
N-ethyl-1-(5-ethylthiophen-2-yl)-4-methoxybutan-2-amine
CID 62602949
1-(5-ethylthiophen-2-yl)tridecan-2-amine
CID 115842421
N-ethyl-1-(5-ethylthiophen-2-yl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65132130
1-(5-ethylthiophen-2-yl)hexan-2-ylhydrazine
CID 105245716
N-ethyl-1-(4-ethylphenyl)decan-2-amine
CID 115803801
N-ethyl-1-(5-ethylthiophen-2-yl)-5-thiophen-2-ylpentan-2-amine
CID 105136134
1-(5-chlorothiophen-2-yl)-N-propylundecan-2-amine
CID 115841634
N-ethyl-1-(5-ethylthiophen-2-yl)-3-methoxypropan-2-amine
CID 62604111
N-ethyl-1-(5-ethylthiophen-2-yl)-3-propoxypropan-2-amine
CID 55094003
N-ethyl-1-(5-ethylthiophen-2-yl)hexan-3-amine
CID 60996677

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-ethylthiophen-2-yl)decan-2-amine?
The IUPAC name of N-ethyl-1-(5-ethylthiophen-2-yl)decan-2-amine (CID 115842720) is N-ethyl-1-(5-ethylthiophen-2-yl)decan-2-amine.
What is the SMILES notation for N-ethyl-1-(5-ethylthiophen-2-yl)decan-2-amine?
The canonical SMILES for N-ethyl-1-(5-ethylthiophen-2-yl)decan-2-amine is CCCCCCCCC(Cc1ccc(CC)s1)NCC.
What is the InChIKey of N-ethyl-1-(5-ethylthiophen-2-yl)decan-2-amine?
The InChIKey is IGULOYCNUDVUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NS/c1-4-7-8-9-10-11-12-16(19-6-3)15-18-14-13-17(5-2)20-18/h13-14,16,19H,4-12,15H2,1-3H3.
What are the key properties of N-ethyl-1-(5-ethylthiophen-2-yl)decan-2-amine?
N-ethyl-1-(5-ethylthiophen-2-yl)decan-2-amine has a molecular weight of 295.54 g/mol, XLogP of 5.58, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-ethylthiophen-2-yl)decan-2-amine is sourced from PubChem (CID 115842720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).