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

C11H22IN3O — CID 120972284

IUPACN-[(5,5-dimethyloxolan-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCC1CCC(C)(C)O1.I
InChIInChI=1S/C11H21N3O.HI/c1-11(2)5-4-9(15-11)8-13-10-12-6-7-14(10)3;/h9H,4-8H2,1-3H3,(H,12,13);1H
InChIKeyIODYXLMQGKDTEB-UHFFFAOYSA-N
MW339.22 g/mol
LogP1.45
Rot. Bonds2

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

N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120972284) has the molecular formula C11H22IN3O and a molecular weight of 339.22 g/mol. Its IUPAC name is N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[(5,5-dimethyloxolan-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120972284
Molecular FormulaC11H22IN3O
Molecular Weight339.22 g/mol
Exact Mass339.08
IUPAC NameN-[(5,5-dimethyloxolan-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCC1CCC(C)(C)O1.I
InChIInChI=1S/C11H21N3O.HI/c1-11(2)5-4-9(15-11)8-13-10-12-6-7-14(10)3;/h9H,4-8H2,1-3H3,(H,12,13);1H
InChIKeyIODYXLMQGKDTEB-UHFFFAOYSA-N
XLogP1.45
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120972593
N-(cyclooctylmethyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970289
1-methyl-N-[(4-methylcyclohexyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120970473
N-[(2-methoxycyclopentyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971988
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methylpropan-2-amine
CID 116521163
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972304
1-methyl-N-[2-(oxan-4-yl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971020
5-chloro-4-N-[[(2S)-5,5-dimethyloxolan-2-yl]methyl]pyrimidine-4,6-diamine
CID 129320709
N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970896
4-bromo-2,6-dichloro-N-[(5,5-dimethyloxolan-2-yl)methyl]aniline
CID 116521184
2-[(5,5-dimethyloxolan-2-yl)methylamino]-2-methylpropane-1,3-diol
CID 116521611
4-bromo-N-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylaniline
CID 116521095

Frequently Asked Questions

What is the IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120972284) is N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is CN1CCN=C1NCC1CCC(C)(C)O1.I.
What is the InChIKey of N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is IODYXLMQGKDTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O.HI/c1-11(2)5-4-9(15-11)8-13-10-12-6-7-14(10)3;/h9H,4-8H2,1-3H3,(H,12,13);1H.
What are the key properties of N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 339.22 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120972284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).