N-ethyl-1-(4-methoxythiophen-2-yl)nonan-1-amine

C16H29NOS — CID 115835766

IUPACN-ethyl-1-(4-methoxythiophen-2-yl)nonan-1-amine
SMILESCCCCCCCCC(NCC)c1cc(OC)cs1
InChIInChI=1S/C16H29NOS/c1-4-6-7-8-9-10-11-15(17-5-2)16-12-14(18-3)13-19-16/h12-13,15,17H,4-11H2,1-3H3
InChIKeyKEMCWESBDALKFT-UHFFFAOYSA-N
MW283.48 g/mol
LogP5.16
Rot. Bonds11

About N-ethyl-1-(4-methoxythiophen-2-yl)nonan-1-amine

N-ethyl-1-(4-methoxythiophen-2-yl)nonan-1-amine (PubChem CID 115835766) has the molecular formula C16H29NOS and a molecular weight of 283.48 g/mol. Its IUPAC name is N-ethyl-1-(4-methoxythiophen-2-yl)nonan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methoxythiophen-2-yl)nonan-1-amine
PubChem CID115835766
Molecular FormulaC16H29NOS
Molecular Weight283.48 g/mol
Exact Mass283.20
IUPAC NameN-ethyl-1-(4-methoxythiophen-2-yl)nonan-1-amine
SMILESCCCCCCCCC(NCC)c1cc(OC)cs1
InChIInChI=1S/C16H29NOS/c1-4-6-7-8-9-10-11-15(17-5-2)16-12-14(18-3)13-19-16/h12-13,15,17H,4-11H2,1-3H3
InChIKeyKEMCWESBDALKFT-UHFFFAOYSA-N
XLogP5.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.48
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxythiophen-2-yl)-N-methylpentan-1-amine
CID 115833083
1-(4-methoxythiophen-2-yl)octan-1-amine
CID 115832439
N-ethyl-1-(4-methoxythiophen-2-yl)-3-methylsulfonylpropan-1-amine
CID 115848647
4-methoxy-1-(4-methoxythiophen-2-yl)-N-propylbutan-1-amine
CID 105054949
N-ethyl-1-(4-methoxythiophen-2-yl)but-3-en-1-amine
CID 115815103
1-(4-methoxythiophen-2-yl)pentan-1-amine
CID 115832999
1-(4-methoxythiophen-2-yl)pentan-1-ol
CID 115783270
N-[(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 105013677
1-(4-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine
CID 115859366
N-ethyl-1-thiophen-2-ylundecan-1-amine
CID 55186605
2-(3-bromophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
CID 81122653
2-(2,4-dichlorophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
CID 115840276

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methoxythiophen-2-yl)nonan-1-amine?
The IUPAC name of N-ethyl-1-(4-methoxythiophen-2-yl)nonan-1-amine (CID 115835766) is N-ethyl-1-(4-methoxythiophen-2-yl)nonan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-methoxythiophen-2-yl)nonan-1-amine?
The canonical SMILES for N-ethyl-1-(4-methoxythiophen-2-yl)nonan-1-amine is CCCCCCCCC(NCC)c1cc(OC)cs1.
What is the InChIKey of N-ethyl-1-(4-methoxythiophen-2-yl)nonan-1-amine?
The InChIKey is KEMCWESBDALKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NOS/c1-4-6-7-8-9-10-11-15(17-5-2)16-12-14(18-3)13-19-16/h12-13,15,17H,4-11H2,1-3H3.
What are the key properties of N-ethyl-1-(4-methoxythiophen-2-yl)nonan-1-amine?
N-ethyl-1-(4-methoxythiophen-2-yl)nonan-1-amine has a molecular weight of 283.48 g/mol, XLogP of 5.16, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methoxythiophen-2-yl)nonan-1-amine is sourced from PubChem (CID 115835766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).