N-[3-(2-thiophen-2-ylimidazol-1-yl)propyl]cyclohexanamine

C16H23N3S — CID 62565929

IUPACN-[3-(2-thiophen-2-ylimidazol-1-yl)propyl]cyclohexanamine
SMILESc1csc(-c2nccn2CCCNC2CCCCC2)c1
InChIInChI=1S/C16H23N3S/c1-2-6-14(7-3-1)17-9-5-11-19-12-10-18-16(19)15-8-4-13-20-15/h4,8,10,12-14,17H,1-3,5-7,9,11H2
InChIKeyJPVKCAXCNSYESG-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.92
Rot. Bonds6

About N-[3-(2-thiophen-2-ylimidazol-1-yl)propyl]cyclohexanamine

N-[3-(2-thiophen-2-ylimidazol-1-yl)propyl]cyclohexanamine (PubChem CID 62565929) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-[3-(2-thiophen-2-ylimidazol-1-yl)propyl]cyclohexanamine.

Molecular Properties

Compound NameN-[3-(2-thiophen-2-ylimidazol-1-yl)propyl]cyclohexanamine
PubChem CID62565929
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN-[3-(2-thiophen-2-ylimidazol-1-yl)propyl]cyclohexanamine
SMILESc1csc(-c2nccn2CCCNC2CCCCC2)c1
InChIInChI=1S/C16H23N3S/c1-2-6-14(7-3-1)17-9-5-11-19-12-10-18-16(19)15-8-4-13-20-15/h4,8,10,12-14,17H,1-3,5-7,9,11H2
InChIKeyJPVKCAXCNSYESG-UHFFFAOYSA-N
XLogP3.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.92
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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Related Compounds

N-(cyclopropylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanamine
CID 62567030
1-(6-chlorohexyl)-2-thiophen-2-ylimidazole
CID 55053624
6-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol
CID 113353810
1-heptyl-2-thiophen-2-ylimidazole
CID 116621595
1-(cyclobutylmethyl)-2-thiophen-2-ylimidazole
CID 115917906
1-(4-methylpentyl)-2-thiophen-2-ylimidazole
CID 116621649
N-(2-methoxyethyl)-4-(2-thiophen-2-ylimidazol-1-yl)butan-1-amine
CID 62566108
3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]piperidine
CID 62358053
1-(2-methylsulfonylethyl)-2-thiophen-2-ylimidazole
CID 75432637
N-[4-(2-methylimidazol-1-yl)butyl]cyclopentanamine
CID 115654607
N-(oxolan-3-ylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanamine
CID 62567422
N,N-dimethyl-4-(2-thiophen-2-ylimidazol-1-yl)butanamide
CID 116621663

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-thiophen-2-ylimidazol-1-yl)propyl]cyclohexanamine?
The IUPAC name of N-[3-(2-thiophen-2-ylimidazol-1-yl)propyl]cyclohexanamine (CID 62565929) is N-[3-(2-thiophen-2-ylimidazol-1-yl)propyl]cyclohexanamine.
What is the SMILES notation for N-[3-(2-thiophen-2-ylimidazol-1-yl)propyl]cyclohexanamine?
The canonical SMILES for N-[3-(2-thiophen-2-ylimidazol-1-yl)propyl]cyclohexanamine is c1csc(-c2nccn2CCCNC2CCCCC2)c1.
What is the InChIKey of N-[3-(2-thiophen-2-ylimidazol-1-yl)propyl]cyclohexanamine?
The InChIKey is JPVKCAXCNSYESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-2-6-14(7-3-1)17-9-5-11-19-12-10-18-16(19)15-8-4-13-20-15/h4,8,10,12-14,17H,1-3,5-7,9,11H2.
What are the key properties of N-[3-(2-thiophen-2-ylimidazol-1-yl)propyl]cyclohexanamine?
N-[3-(2-thiophen-2-ylimidazol-1-yl)propyl]cyclohexanamine has a molecular weight of 289.45 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-thiophen-2-ylimidazol-1-yl)propyl]cyclohexanamine is sourced from PubChem (CID 62565929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).