1-ethyl-3-(2-methylcyclopropyl)-2-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine

C17H24N6 — CID 119151827

IUPAC1-ethyl-3-(2-methylcyclopropyl)-2-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine
SMILESCCN/C(=N\Cc1cccnc1-n1ccnc1C)NC1CC1C
InChIInChI=1S/C17H24N6/c1-4-18-17(22-15-10-12(15)2)21-11-14-6-5-7-20-16(14)23-9-8-19-13(23)3/h5-9,12,15H,4,10-11H2,1-3H3,(H2,18,21,22)
InChIKeyYSQRFWIIGPACRH-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.04
Rot. Bonds5

About 1-ethyl-3-(2-methylcyclopropyl)-2-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine

1-ethyl-3-(2-methylcyclopropyl)-2-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine (PubChem CID 119151827) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-ethyl-3-(2-methylcyclopropyl)-2-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-(2-methylcyclopropyl)-2-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine
PubChem CID119151827
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name1-ethyl-3-(2-methylcyclopropyl)-2-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine
SMILESCCN/C(=N\Cc1cccnc1-n1ccnc1C)NC1CC1C
InChIInChI=1S/C17H24N6/c1-4-18-17(22-15-10-12(15)2)21-11-14-6-5-7-20-16(14)23-9-8-19-13(23)3/h5-9,12,15H,4,10-11H2,1-3H3,(H2,18,21,22)
InChIKeyYSQRFWIIGPACRH-UHFFFAOYSA-N
XLogP2.04
TPSA67.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.04
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-ethyl-2-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-prop-2-ynylguanidine;hydroiodide
CID 119149105
1-ethyl-3-(2-methylcyclopropyl)-2-(quinolin-8-ylmethyl)guanidine
CID 111963065
2-[[2-(difluoromethoxy)phenyl]methyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine
CID 111864846
1-ethyl-3-(2-methylcyclopropyl)-2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]guanidine
CID 111690508
1-ethyl-3-(2-methylcyclopropyl)-2-[(2-nitrophenyl)methyl]guanidine;hydroiodide
CID 111961522
2-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine
CID 111963029
1-[3-[[[(cyclopentylamino)-(ethylamino)methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide;hydroiodide
CID 110992164
1-ethyl-3-(3-methylsulfanylcyclopentyl)-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
CID 111528843
1-cyclopropyl-3-ethyl-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine
CID 110987854
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62293470
1-ethyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111318386
1-ethyl-3-(2-methylcyclopropyl)-2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]guanidine
CID 111963543

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methylcyclopropyl)-2-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine?
The IUPAC name of 1-ethyl-3-(2-methylcyclopropyl)-2-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine (CID 119151827) is 1-ethyl-3-(2-methylcyclopropyl)-2-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-(2-methylcyclopropyl)-2-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine?
The canonical SMILES for 1-ethyl-3-(2-methylcyclopropyl)-2-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine is CCN/C(=N\Cc1cccnc1-n1ccnc1C)NC1CC1C.
What is the InChIKey of 1-ethyl-3-(2-methylcyclopropyl)-2-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine?
The InChIKey is YSQRFWIIGPACRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-4-18-17(22-15-10-12(15)2)21-11-14-6-5-7-20-16(14)23-9-8-19-13(23)3/h5-9,12,15H,4,10-11H2,1-3H3,(H2,18,21,22).
What are the key properties of 1-ethyl-3-(2-methylcyclopropyl)-2-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine?
1-ethyl-3-(2-methylcyclopropyl)-2-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine has a molecular weight of 312.42 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methylcyclopropyl)-2-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine is sourced from PubChem (CID 119151827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).