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

C10H19N5 — CID 61493494

IUPAC3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)CCn1ccnc1C
InChIInChI=1S/C10H19N5/c1-9-13-4-6-15(9)8-7-14(2)5-3-10(11)12/h4,6H,3,5,7-8H2,1-2H3,(H3,11,12)
InChIKeyJYDXHCOUZWOFSP-UHFFFAOYSA-N
MW209.30 g/mol
LogP0.45
Rot. Bonds6

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

3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propanimidamide (PubChem CID 61493494) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propanimidamide.

Molecular Properties

Compound Name3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propanimidamide
PubChem CID61493494
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)CCn1ccnc1C
InChIInChI=1S/C10H19N5/c1-9-13-4-6-15(9)8-7-14(2)5-3-10(11)12/h4,6H,3,5,7-8H2,1-2H3,(H3,11,12)
InChIKeyJYDXHCOUZWOFSP-UHFFFAOYSA-N
XLogP0.45
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 50.45
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

3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide
CID 63013799
3-[methyl(2-pyrazol-1-ylethyl)amino]propanimidamide
CID 61491625
2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid
CID 61493400
1-N-methyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]propane-1,2-diamine
CID 63759365
4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]oxan-4-ol
CID 114952881
3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]propanimidamide
CID 103003029
1-methoxy-3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propan-2-ol
CID 62016741
3-[cyclopropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide
CID 55156215
3-[(4-ethyl-3-oxopyrazin-2-yl)-propan-2-ylamino]propanimidamide
CID 62938598
3,5-dimethyl-4-[2-(2-methylimidazol-1-yl)ethoxy]benzenecarboximidamide
CID 65471937
3-[N-[2-(2-methylimidazol-1-yl)ethyl]anilino]propanethioamide
CID 61493793
3-[ethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanimidamide
CID 62940592

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propanimidamide?
The IUPAC name of 3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propanimidamide (CID 61493494) is 3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propanimidamide.
What is the SMILES notation for 3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propanimidamide?
The canonical SMILES for 3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propanimidamide is [H]/N=C(\N)CCN(C)CCn1ccnc1C.
What is the InChIKey of 3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propanimidamide?
The InChIKey is JYDXHCOUZWOFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-9-13-4-6-15(9)8-7-14(2)5-3-10(11)12/h4,6H,3,5,7-8H2,1-2H3,(H3,11,12).
What are the key properties of 3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propanimidamide?
3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propanimidamide has a molecular weight of 209.30 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propanimidamide is sourced from PubChem (CID 61493494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).