1-cyclopropyl-2-(2-imidazol-1-ylethyl)guanidine

C9H15N5 — CID 62362892

IUPAC1-cyclopropyl-2-(2-imidazol-1-ylethyl)guanidine
SMILESN/C(=N\CCn1ccnc1)NC1CC1
InChIInChI=1S/C9H15N5/c10-9(13-8-1-2-8)12-4-6-14-5-3-11-7-14/h3,5,7-8H,1-2,4,6H2,(H3,10,12,13)
InChIKeyJPWAKGWSKRDGTJ-UHFFFAOYSA-N
MW193.25 g/mol
LogP-0.05
Rot. Bonds4

About 1-cyclopropyl-2-(2-imidazol-1-ylethyl)guanidine

1-cyclopropyl-2-(2-imidazol-1-ylethyl)guanidine (PubChem CID 62362892) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2-imidazol-1-ylethyl)guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-(2-imidazol-1-ylethyl)guanidine
PubChem CID62362892
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name1-cyclopropyl-2-(2-imidazol-1-ylethyl)guanidine
SMILESN/C(=N\CCn1ccnc1)NC1CC1
InChIInChI=1S/C9H15N5/c10-9(13-8-1-2-8)12-4-6-14-5-3-11-7-14/h3,5,7-8H,1-2,4,6H2,(H3,10,12,13)
InChIKeyJPWAKGWSKRDGTJ-UHFFFAOYSA-N
XLogP-0.05
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
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

1-cyclopentyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 119117343
1-cyclopropyl-2-(2-pyrazol-1-ylethyl)guanidine
CID 62361824
1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine
CID 110991931
1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 110991930
1-cyclohexyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 110958682
2-(2-imidazol-1-ylethyl)-1-(1-methoxypropan-2-yl)guanidine
CID 111030816
1-ethyl-2-(2-imidazol-1-ylethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318591
1-cyano-3-cyclooctyl-2-(3-imidazol-1-ylpropyl)guanidine
CID 24858984
1-cyclopentyl-3-(2-imidazol-1-ylethyl)-2-methylguanidine
CID 110991929
2-[6-[[amino-(cyclopropylamino)methylidene]amino]hexyl]-1-cyclopropylguanidine
CID 110062172
2-(3-imidazol-1-ylpropyl)-1-(2-methoxyethyl)guanidine
CID 110913907
1-cyclohexyl-3-(2-imidazol-1-ylethyl)thiourea
CID 115570774

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2-imidazol-1-ylethyl)guanidine?
The IUPAC name of 1-cyclopropyl-2-(2-imidazol-1-ylethyl)guanidine (CID 62362892) is 1-cyclopropyl-2-(2-imidazol-1-ylethyl)guanidine.
What is the SMILES notation for 1-cyclopropyl-2-(2-imidazol-1-ylethyl)guanidine?
The canonical SMILES for 1-cyclopropyl-2-(2-imidazol-1-ylethyl)guanidine is N/C(=N\CCn1ccnc1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-(2-imidazol-1-ylethyl)guanidine?
The InChIKey is JPWAKGWSKRDGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c10-9(13-8-1-2-8)12-4-6-14-5-3-11-7-14/h3,5,7-8H,1-2,4,6H2,(H3,10,12,13).
What are the key properties of 1-cyclopropyl-2-(2-imidazol-1-ylethyl)guanidine?
1-cyclopropyl-2-(2-imidazol-1-ylethyl)guanidine has a molecular weight of 193.25 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2-imidazol-1-ylethyl)guanidine is sourced from PubChem (CID 62362892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).