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

C16H29N7 — CID 119159760

IUPAC1-(1-cyclopropylpyrrolidin-3-yl)-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine
SMILESC/N=C(\NCc1cnc(N(C)C)n1C)NC1CCN(C2CC2)C1
InChIInChI=1S/C16H29N7/c1-17-15(20-12-7-8-23(11-12)13-5-6-13)18-9-14-10-19-16(21(2)3)22(14)4/h10,12-13H,5-9,11H2,1-4H3,(H2,17,18,20)
InChIKeyRCQIFBNZPZHKJS-UHFFFAOYSA-N
MW319.46 g/mol
LogP0.39
Rot. Bonds5

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

1-(1-cyclopropylpyrrolidin-3-yl)-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine (PubChem CID 119159760) has the molecular formula C16H29N7 and a molecular weight of 319.46 g/mol. Its IUPAC name is 1-(1-cyclopropylpyrrolidin-3-yl)-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-(1-cyclopropylpyrrolidin-3-yl)-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine
PubChem CID119159760
Molecular FormulaC16H29N7
Molecular Weight319.46 g/mol
Exact Mass319.25
IUPAC Name1-(1-cyclopropylpyrrolidin-3-yl)-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine
SMILESC/N=C(\NCc1cnc(N(C)C)n1C)NC1CCN(C2CC2)C1
InChIInChI=1S/C16H29N7/c1-17-15(20-12-7-8-23(11-12)13-5-6-13)18-9-14-10-19-16(21(2)3)22(14)4/h10,12-13H,5-9,11H2,1-4H3,(H2,17,18,20)
InChIKeyRCQIFBNZPZHKJS-UHFFFAOYSA-N
XLogP0.39
TPSA60.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-cyclopropyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine
CID 119138379
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-[[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]-2-methyl-3-(6-oxopiperidin-3-yl)guanidine
CID 119159768
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 119150712
1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine
CID 119158419
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide
CID 119150641
1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-3-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-methylguanidine
CID 119160072
1-(1-cyclopentylpyrrolidin-3-yl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine
CID 119157142
1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine
CID 119150295
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 111920061

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine?
The IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine (CID 119159760) is 1-(1-cyclopropylpyrrolidin-3-yl)-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine.
What is the SMILES notation for 1-(1-cyclopropylpyrrolidin-3-yl)-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine?
The canonical SMILES for 1-(1-cyclopropylpyrrolidin-3-yl)-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine is C/N=C(\NCc1cnc(N(C)C)n1C)NC1CCN(C2CC2)C1.
What is the InChIKey of 1-(1-cyclopropylpyrrolidin-3-yl)-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine?
The InChIKey is RCQIFBNZPZHKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N7/c1-17-15(20-12-7-8-23(11-12)13-5-6-13)18-9-14-10-19-16(21(2)3)22(14)4/h10,12-13H,5-9,11H2,1-4H3,(H2,17,18,20).
What are the key properties of 1-(1-cyclopropylpyrrolidin-3-yl)-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine?
1-(1-cyclopropylpyrrolidin-3-yl)-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine has a molecular weight of 319.46 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpyrrolidin-3-yl)-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine is sourced from PubChem (CID 119159760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).