N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]cyclopentanamine

C16H23N3S — CID 46992691

IUPACN-[(1-methylimidazol-2-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]cyclopentanamine
SMILESCc1ccsc1CN(Cc1nccn1C)C1CCCC1
InChIInChI=1S/C16H23N3S/c1-13-7-10-20-15(13)11-19(14-5-3-4-6-14)12-16-17-8-9-18(16)2/h7-10,14H,3-6,11-12H2,1-2H3
InChIKeyFSGFBQKXEWCCSJ-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.73
Rot. Bonds5

About N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]cyclopentanamine

N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]cyclopentanamine (PubChem CID 46992691) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]cyclopentanamine
PubChem CID46992691
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]cyclopentanamine
SMILESCc1ccsc1CN(Cc1nccn1C)C1CCCC1
InChIInChI=1S/C16H23N3S/c1-13-7-10-20-15(13)11-19(14-5-3-4-6-14)12-16-17-8-9-18(16)2/h7-10,14H,3-6,11-12H2,1-2H3
InChIKeyFSGFBQKXEWCCSJ-UHFFFAOYSA-N
XLogP3.73
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]cyclopentanamine (CID 46992691) is N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]cyclopentanamine is Cc1ccsc1CN(Cc1nccn1C)C1CCCC1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]cyclopentanamine?
The InChIKey is FSGFBQKXEWCCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-13-7-10-20-15(13)11-19(14-5-3-4-6-14)12-16-17-8-9-18(16)2/h7-10,14H,3-6,11-12H2,1-2H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]cyclopentanamine?
N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]cyclopentanamine has a molecular weight of 289.45 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]cyclopentanamine is sourced from PubChem (CID 46992691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).