N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine

C11H19N3S — CID 103701192

IUPACN-[(1-methylimidazol-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine
SMILESCSC1CCCC1NCc1nccn1C
InChIInChI=1S/C11H19N3S/c1-14-7-6-12-11(14)8-13-9-4-3-5-10(9)15-2/h6-7,9-10,13H,3-5,8H2,1-2H3
InChIKeyCXBKFBPKRUCCEL-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.79
Rot. Bonds4

About N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine

N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine (PubChem CID 103701192) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine
PubChem CID103701192
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine
SMILESCSC1CCCC1NCc1nccn1C
InChIInChI=1S/C11H19N3S/c1-14-7-6-12-11(14)8-13-9-4-3-5-10(9)15-2/h6-7,9-10,13H,3-5,8H2,1-2H3
InChIKeyCXBKFBPKRUCCEL-UHFFFAOYSA-N
XLogP1.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine (CID 103701192) is N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine is CSC1CCCC1NCc1nccn1C.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine?
The InChIKey is CXBKFBPKRUCCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-14-7-6-12-11(14)8-13-9-4-3-5-10(9)15-2/h6-7,9-10,13H,3-5,8H2,1-2H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine?
N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine has a molecular weight of 225.36 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 103701192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).