2-methyl-1-[1-[2-(methylamino)ethyl]-4,5-dihydroimidazol-2-yl]guanidine

C8H18N6 — CID 21026724

IUPAC2-methyl-1-[1-[2-(methylamino)ethyl]-4,5-dihydroimidazol-2-yl]guanidine
SMILESC/N=C(\N)NC1=NCCN1CCNC
InChIInChI=1S/C8H18N6/c1-10-3-5-14-6-4-12-8(14)13-7(9)11-2/h10H,3-6H2,1-2H3,(H3,9,11,12,13)
InChIKeyOIKKDJPJBBUKCL-UHFFFAOYSA-N
MW198.27 g/mol
LogP-1.59
Rot. Bonds3

About 2-methyl-1-[1-[2-(methylamino)ethyl]-4,5-dihydroimidazol-2-yl]guanidine

2-methyl-1-[1-[2-(methylamino)ethyl]-4,5-dihydroimidazol-2-yl]guanidine (PubChem CID 21026724) has the molecular formula C8H18N6 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-methyl-1-[1-[2-(methylamino)ethyl]-4,5-dihydroimidazol-2-yl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[1-[2-(methylamino)ethyl]-4,5-dihydroimidazol-2-yl]guanidine
PubChem CID21026724
Molecular FormulaC8H18N6
Molecular Weight198.27 g/mol
Exact Mass198.16
IUPAC Name2-methyl-1-[1-[2-(methylamino)ethyl]-4,5-dihydroimidazol-2-yl]guanidine
SMILESC/N=C(\N)NC1=NCCN1CCNC
InChIInChI=1S/C8H18N6/c1-10-3-5-14-6-4-12-8(14)13-7(9)11-2/h10H,3-6H2,1-2H3,(H3,9,11,12,13)
InChIKeyOIKKDJPJBBUKCL-UHFFFAOYSA-N
XLogP-1.59
TPSA78.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-[2-(methylamino)ethyl]-4,5-dihydroimidazol-2-yl]guanidine?
The IUPAC name of 2-methyl-1-[1-[2-(methylamino)ethyl]-4,5-dihydroimidazol-2-yl]guanidine (CID 21026724) is 2-methyl-1-[1-[2-(methylamino)ethyl]-4,5-dihydroimidazol-2-yl]guanidine.
What is the SMILES notation for 2-methyl-1-[1-[2-(methylamino)ethyl]-4,5-dihydroimidazol-2-yl]guanidine?
The canonical SMILES for 2-methyl-1-[1-[2-(methylamino)ethyl]-4,5-dihydroimidazol-2-yl]guanidine is C/N=C(\N)NC1=NCCN1CCNC.
What is the InChIKey of 2-methyl-1-[1-[2-(methylamino)ethyl]-4,5-dihydroimidazol-2-yl]guanidine?
The InChIKey is OIKKDJPJBBUKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N6/c1-10-3-5-14-6-4-12-8(14)13-7(9)11-2/h10H,3-6H2,1-2H3,(H3,9,11,12,13).
What are the key properties of 2-methyl-1-[1-[2-(methylamino)ethyl]-4,5-dihydroimidazol-2-yl]guanidine?
2-methyl-1-[1-[2-(methylamino)ethyl]-4,5-dihydroimidazol-2-yl]guanidine has a molecular weight of 198.27 g/mol, XLogP of -1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-[2-(methylamino)ethyl]-4,5-dihydroimidazol-2-yl]guanidine is sourced from PubChem (CID 21026724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).