3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide

C13H25N5 — CID 114528120

IUPAC3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCc1nccn1C)CC(C)C
InChIInChI=1S/C13H25N5/c1-11(2)10-18(7-4-12(14)15)8-5-13-16-6-9-17(13)3/h6,9,11H,4-5,7-8,10H2,1-3H3,(H3,14,15)
InChIKeyNZVSKISSCNRTEI-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.25
Rot. Bonds8

About 3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide

3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide (PubChem CID 114528120) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide
PubChem CID114528120
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCc1nccn1C)CC(C)C
InChIInChI=1S/C13H25N5/c1-11(2)10-18(7-4-12(14)15)8-5-13-16-6-9-17(13)3/h6,9,11H,4-5,7-8,10H2,1-3H3,(H3,14,15)
InChIKeyNZVSKISSCNRTEI-UHFFFAOYSA-N
XLogP1.25
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.25
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

N'-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide
CID 114528083
3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide
CID 63013799
2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide
CID 63013801
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
3-[2-(1-methylimidazol-2-yl)ethyl-propan-2-ylamino]propanethioamide
CID 114527902
1-N-methyl-1-N-[2-(1-methylimidazol-2-yl)ethyl]propane-1,2-diamine
CID 114531856
3-[2-methylpropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide
CID 62939297
2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethoxy]propanimidamide
CID 114266428
3-[ethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanimidamide
CID 62940592
3-[(5-fluoro-3-pyridinyl)methyl-(2-methylpropyl)amino]propanimidamide
CID 114084421
2-[methyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanethioamide
CID 114527904
3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propanimidamide
CID 61493494

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide?
The IUPAC name of 3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide (CID 114528120) is 3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide.
What is the SMILES notation for 3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide?
The canonical SMILES for 3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide is [H]/N=C(\N)CCN(CCc1nccn1C)CC(C)C.
What is the InChIKey of 3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide?
The InChIKey is NZVSKISSCNRTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-11(2)10-18(7-4-12(14)15)8-5-13-16-6-9-17(13)3/h6,9,11H,4-5,7-8,10H2,1-3H3,(H3,14,15).
What are the key properties of 3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide?
3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide has a molecular weight of 251.38 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide is sourced from PubChem (CID 114528120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).