1-cyclopropyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine

C12H22N6 — CID 119138379

IUPAC1-cyclopropyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine
SMILESC/N=C(/NCc1cnc(N(C)C)n1C)NC1CC1
InChIInChI=1S/C12H22N6/c1-13-11(16-9-5-6-9)14-7-10-8-15-12(17(2)3)18(10)4/h8-9H,5-7H2,1-4H3,(H2,13,14,16)
InChIKeyRFJALIOJSOWRFB-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.31
Rot. Bonds4

About 1-cyclopropyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine

1-cyclopropyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine (PubChem CID 119138379) has the molecular formula C12H22N6 and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-cyclopropyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine
PubChem CID119138379
Molecular FormulaC12H22N6
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC Name1-cyclopropyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine
SMILESC/N=C(/NCc1cnc(N(C)C)n1C)NC1CC1
InChIInChI=1S/C12H22N6/c1-13-11(16-9-5-6-9)14-7-10-8-15-12(17(2)3)18(10)4/h8-9H,5-7H2,1-4H3,(H2,13,14,16)
InChIKeyRFJALIOJSOWRFB-UHFFFAOYSA-N
XLogP0.31
TPSA57.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine;hydroiodide
CID 119145973
1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-3-(4,4-dimethylcyclohexyl)-2-methylguanidine
CID 119159865
1-(1-cyclopropylpyrrolidin-3-yl)-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine
CID 119159760
1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methyl-3-(6-oxopiperidin-3-yl)guanidine
CID 119159768
1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methyl-3-(1-phenylpiperidin-3-yl)guanidine;hydroiodide
CID 119159858
1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-3-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-methylguanidine
CID 119160072
1-cyclopropyl-2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]guanidine;hydroiodide
CID 119147427
1-cyclopentyl-2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]guanidine
CID 119147380
N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119159840
1-[1-(2-bromophenyl)ethyl]-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine;hydroiodide
CID 119159586
1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-3-(2,4,4-trimethylcyclohexyl)urea
CID 102559288
1-cyclohexyl-2-methyl-3-[(1-methylpyrrol-2-yl)methyl]guanidine
CID 119140036

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine?
The IUPAC name of 1-cyclopropyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine (CID 119138379) is 1-cyclopropyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine.
What is the SMILES notation for 1-cyclopropyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine?
The canonical SMILES for 1-cyclopropyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine is C/N=C(/NCc1cnc(N(C)C)n1C)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine?
The InChIKey is RFJALIOJSOWRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6/c1-13-11(16-9-5-6-9)14-7-10-8-15-12(17(2)3)18(10)4/h8-9H,5-7H2,1-4H3,(H2,13,14,16).
What are the key properties of 1-cyclopropyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine?
1-cyclopropyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine has a molecular weight of 250.35 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine is sourced from PubChem (CID 119138379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).