N-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]heptan-2-amine

C16H25N3S — CID 62566840

IUPACN-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]heptan-2-amine
SMILESCCCCCC(C)NCCn1ccnc1-c1cccs1
InChIInChI=1S/C16H25N3S/c1-3-4-5-7-14(2)17-9-11-19-12-10-18-16(19)15-8-6-13-20-15/h6,8,10,12-14,17H,3-5,7,9,11H2,1-2H3
InChIKeyZRWDERFSMFUFFW-UHFFFAOYSA-N
MW291.46 g/mol
LogP4.17
Rot. Bonds9

About N-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]heptan-2-amine

N-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]heptan-2-amine (PubChem CID 62566840) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is N-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]heptan-2-amine.

Molecular Properties

Compound NameN-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]heptan-2-amine
PubChem CID62566840
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC NameN-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]heptan-2-amine
SMILESCCCCCC(C)NCCn1ccnc1-c1cccs1
InChIInChI=1S/C16H25N3S/c1-3-4-5-7-14(2)17-9-11-19-12-10-18-16(19)15-8-6-13-20-15/h6,8,10,12-14,17H,3-5,7,9,11H2,1-2H3
InChIKeyZRWDERFSMFUFFW-UHFFFAOYSA-N
XLogP4.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]heptan-2-amine?
The IUPAC name of N-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]heptan-2-amine (CID 62566840) is N-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]heptan-2-amine.
What is the SMILES notation for N-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]heptan-2-amine?
The canonical SMILES for N-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]heptan-2-amine is CCCCCC(C)NCCn1ccnc1-c1cccs1.
What is the InChIKey of N-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]heptan-2-amine?
The InChIKey is ZRWDERFSMFUFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S/c1-3-4-5-7-14(2)17-9-11-19-12-10-18-16(19)15-8-6-13-20-15/h6,8,10,12-14,17H,3-5,7,9,11H2,1-2H3.
What are the key properties of N-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]heptan-2-amine?
N-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]heptan-2-amine has a molecular weight of 291.46 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]heptan-2-amine is sourced from PubChem (CID 62566840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).