N-ethyl-1-thiophen-2-ylundecan-1-amine

C17H31NS — CID 55186605

IUPACN-ethyl-1-thiophen-2-ylundecan-1-amine
SMILESCCCCCCCCCCC(NCC)c1cccs1
InChIInChI=1S/C17H31NS/c1-3-5-6-7-8-9-10-11-13-16(18-4-2)17-14-12-15-19-17/h12,14-16,18H,3-11,13H2,1-2H3
InChIKeyBLKRLTAZLWCRHM-UHFFFAOYSA-N
MW281.51 g/mol
LogP5.93
Rot. Bonds12

About N-ethyl-1-thiophen-2-ylundecan-1-amine

N-ethyl-1-thiophen-2-ylundecan-1-amine (PubChem CID 55186605) has the molecular formula C17H31NS and a molecular weight of 281.51 g/mol. Its IUPAC name is N-ethyl-1-thiophen-2-ylundecan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-thiophen-2-ylundecan-1-amine
PubChem CID55186605
Molecular FormulaC17H31NS
Molecular Weight281.51 g/mol
Exact Mass281.22
IUPAC NameN-ethyl-1-thiophen-2-ylundecan-1-amine
SMILESCCCCCCCCCCC(NCC)c1cccs1
InChIInChI=1S/C17H31NS/c1-3-5-6-7-8-9-10-11-13-16(18-4-2)17-14-12-15-19-17/h12,14-16,18H,3-11,13H2,1-2H3
InChIKeyBLKRLTAZLWCRHM-UHFFFAOYSA-N
XLogP5.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.51
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-ethyl-1-thiophen-2-ylundecan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-thiophen-2-ylbutyl)decan-1-amine
CID 63491380
N-ethyl-4-methyl-1-thiophen-2-ylpentan-1-amine
CID 43490552
2-tetradecan-7-ylthiophene
CID 137450901
N-(1-thiophen-2-ylbutyl)nonan-2-amine
CID 63456215
N,N',N'-triethyl-1-thiophen-2-ylpropane-1,3-diamine
CID 79087157
N-ethyl-1-[2-[1-(ethylamino)tridecyl]phenyl]tridecan-1-amine
CID 57251881
2-heptadecan-5-ylthiophene
CID 19734009
N-ethyl-1-(3-methylthiophen-2-yl)nonan-1-amine
CID 65448579
1-thiophen-2-yloctan-1-amine
CID 22115201
1-thiophen-2-ylundecan-1-amine
CID 63414388
2-(1-bromononyl)thiophene
CID 65427153
1-(3-chlorothiophen-2-yl)-N-ethylundecan-1-amine
CID 115846003

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-thiophen-2-ylundecan-1-amine?
The IUPAC name of N-ethyl-1-thiophen-2-ylundecan-1-amine (CID 55186605) is N-ethyl-1-thiophen-2-ylundecan-1-amine.
What is the SMILES notation for N-ethyl-1-thiophen-2-ylundecan-1-amine?
The canonical SMILES for N-ethyl-1-thiophen-2-ylundecan-1-amine is CCCCCCCCCCC(NCC)c1cccs1.
What is the InChIKey of N-ethyl-1-thiophen-2-ylundecan-1-amine?
The InChIKey is BLKRLTAZLWCRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NS/c1-3-5-6-7-8-9-10-11-13-16(18-4-2)17-14-12-15-19-17/h12,14-16,18H,3-11,13H2,1-2H3.
What are the key properties of N-ethyl-1-thiophen-2-ylundecan-1-amine?
N-ethyl-1-thiophen-2-ylundecan-1-amine has a molecular weight of 281.51 g/mol, XLogP of 5.93, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-thiophen-2-ylundecan-1-amine is sourced from PubChem (CID 55186605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).