2-cyclopropyl-1-methyl-1-[(1-methylimidazol-2-yl)methyl]guanidine

C10H17N5 — CID 63025121

IUPAC2-cyclopropyl-1-methyl-1-[(1-methylimidazol-2-yl)methyl]guanidine
SMILESCN(Cc1nccn1C)/C(N)=N/C1CC1
InChIInChI=1S/C10H17N5/c1-14-6-5-12-9(14)7-15(2)10(11)13-8-3-4-8/h5-6,8H,3-4,7H2,1-2H3,(H2,11,13)
InChIKeyIRZKONVXJFMKLG-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.33
Rot. Bonds3

About 2-cyclopropyl-1-methyl-1-[(1-methylimidazol-2-yl)methyl]guanidine

2-cyclopropyl-1-methyl-1-[(1-methylimidazol-2-yl)methyl]guanidine (PubChem CID 63025121) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-cyclopropyl-1-methyl-1-[(1-methylimidazol-2-yl)methyl]guanidine.

Molecular Properties

Compound Name2-cyclopropyl-1-methyl-1-[(1-methylimidazol-2-yl)methyl]guanidine
PubChem CID63025121
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name2-cyclopropyl-1-methyl-1-[(1-methylimidazol-2-yl)methyl]guanidine
SMILESCN(Cc1nccn1C)/C(N)=N/C1CC1
InChIInChI=1S/C10H17N5/c1-14-6-5-12-9(14)7-15(2)10(11)13-8-3-4-8/h5-6,8H,3-4,7H2,1-2H3,(H2,11,13)
InChIKeyIRZKONVXJFMKLG-UHFFFAOYSA-N
XLogP0.33
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cycloheptan-1-ol
CID 63026805
1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 80593803
N-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 54873646
4-amino-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 63021596
2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 107904600
N'-hydroxy-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanimidamide
CID 76982036
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 76985325
3-[cyclopropyl-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]propanoic acid
CID 63025549
1-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 60962598
2-(azetidin-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 64612010
2-[(Z)-N'-hydroxycarbamimidoyl]-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 114292968
(2S)-1-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 63027065

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-methyl-1-[(1-methylimidazol-2-yl)methyl]guanidine?
The IUPAC name of 2-cyclopropyl-1-methyl-1-[(1-methylimidazol-2-yl)methyl]guanidine (CID 63025121) is 2-cyclopropyl-1-methyl-1-[(1-methylimidazol-2-yl)methyl]guanidine.
What is the SMILES notation for 2-cyclopropyl-1-methyl-1-[(1-methylimidazol-2-yl)methyl]guanidine?
The canonical SMILES for 2-cyclopropyl-1-methyl-1-[(1-methylimidazol-2-yl)methyl]guanidine is CN(Cc1nccn1C)/C(N)=N/C1CC1.
What is the InChIKey of 2-cyclopropyl-1-methyl-1-[(1-methylimidazol-2-yl)methyl]guanidine?
The InChIKey is IRZKONVXJFMKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-14-6-5-12-9(14)7-15(2)10(11)13-8-3-4-8/h5-6,8H,3-4,7H2,1-2H3,(H2,11,13).
What are the key properties of 2-cyclopropyl-1-methyl-1-[(1-methylimidazol-2-yl)methyl]guanidine?
2-cyclopropyl-1-methyl-1-[(1-methylimidazol-2-yl)methyl]guanidine has a molecular weight of 207.28 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-methyl-1-[(1-methylimidazol-2-yl)methyl]guanidine is sourced from PubChem (CID 63025121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).