N-[(5-ethylthiophen-2-yl)methyl]-2-imidazol-1-ylcyclopentan-1-amine

C15H21N3S — CID 55062118

IUPACN-[(5-ethylthiophen-2-yl)methyl]-2-imidazol-1-ylcyclopentan-1-amine
SMILESCCc1ccc(CNC2CCCC2n2ccnc2)s1
InChIInChI=1S/C15H21N3S/c1-2-12-6-7-13(19-12)10-17-14-4-3-5-15(14)18-9-8-16-11-18/h6-9,11,14-15,17H,2-5,10H2,1H3
InChIKeyNNECBRBVADUHIF-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.39
Rot. Bonds5

About N-[(5-ethylthiophen-2-yl)methyl]-2-imidazol-1-ylcyclopentan-1-amine

N-[(5-ethylthiophen-2-yl)methyl]-2-imidazol-1-ylcyclopentan-1-amine (PubChem CID 55062118) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-2-imidazol-1-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-2-imidazol-1-ylcyclopentan-1-amine
PubChem CID55062118
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-2-imidazol-1-ylcyclopentan-1-amine
SMILESCCc1ccc(CNC2CCCC2n2ccnc2)s1
InChIInChI=1S/C15H21N3S/c1-2-12-6-7-13(19-12)10-17-14-4-3-5-15(14)18-9-8-16-11-18/h6-9,11,14-15,17H,2-5,10H2,1H3
InChIKeyNNECBRBVADUHIF-UHFFFAOYSA-N
XLogP3.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-imidazol-1-ylcyclopentan-1-amine?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-imidazol-1-ylcyclopentan-1-amine (CID 55062118) is N-[(5-ethylthiophen-2-yl)methyl]-2-imidazol-1-ylcyclopentan-1-amine.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-2-imidazol-1-ylcyclopentan-1-amine?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-2-imidazol-1-ylcyclopentan-1-amine is CCc1ccc(CNC2CCCC2n2ccnc2)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-2-imidazol-1-ylcyclopentan-1-amine?
The InChIKey is NNECBRBVADUHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-2-12-6-7-13(19-12)10-17-14-4-3-5-15(14)18-9-8-16-11-18/h6-9,11,14-15,17H,2-5,10H2,1H3.
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-2-imidazol-1-ylcyclopentan-1-amine?
N-[(5-ethylthiophen-2-yl)methyl]-2-imidazol-1-ylcyclopentan-1-amine has a molecular weight of 275.42 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-2-imidazol-1-ylcyclopentan-1-amine is sourced from PubChem (CID 55062118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).