N-[(2-methoxycyclopentyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

C11H22IN3O — CID 120971988

IUPACN-[(2-methoxycyclopentyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCOC1CCCC1CNC1=NCCN1C.I
InChIInChI=1S/C11H21N3O.HI/c1-14-7-6-12-11(14)13-8-9-4-3-5-10(9)15-2;/h9-10H,3-8H2,1-2H3,(H,12,13);1H
InChIKeyRDAWVAUERBADED-UHFFFAOYSA-N
MW339.22 g/mol
LogP1.31
Rot. Bonds3

About N-[(2-methoxycyclopentyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

N-[(2-methoxycyclopentyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120971988) has the molecular formula C11H22IN3O and a molecular weight of 339.22 g/mol. Its IUPAC name is N-[(2-methoxycyclopentyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[(2-methoxycyclopentyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120971988
Molecular FormulaC11H22IN3O
Molecular Weight339.22 g/mol
Exact Mass339.08
IUPAC NameN-[(2-methoxycyclopentyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCOC1CCCC1CNC1=NCCN1C.I
InChIInChI=1S/C11H21N3O.HI/c1-14-7-6-12-11(14)13-8-9-4-3-5-10(9)15-2;/h9-10H,3-8H2,1-2H3,(H,12,13);1H
InChIKeyRDAWVAUERBADED-UHFFFAOYSA-N
XLogP1.31
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxycyclopentyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of N-[(2-methoxycyclopentyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120971988) is N-[(2-methoxycyclopentyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[(2-methoxycyclopentyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for N-[(2-methoxycyclopentyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is COC1CCCC1CNC1=NCCN1C.I.
What is the InChIKey of N-[(2-methoxycyclopentyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is RDAWVAUERBADED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O.HI/c1-14-7-6-12-11(14)13-8-9-4-3-5-10(9)15-2;/h9-10H,3-8H2,1-2H3,(H,12,13);1H.
What are the key properties of N-[(2-methoxycyclopentyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
N-[(2-methoxycyclopentyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 339.22 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxycyclopentyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120971988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).