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

C9H17N5 — CID 63013799

IUPAC3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)Cc1nccn1C
InChIInChI=1S/C9H17N5/c1-13(5-3-8(10)11)7-9-12-4-6-14(9)2/h4,6H,3,5,7H2,1-2H3,(H3,10,11)
InChIKeyAKDWYILBEXIFKG-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.18
Rot. Bonds5

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

3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide (PubChem CID 63013799) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide.

Molecular Properties

Compound Name3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide
PubChem CID63013799
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)Cc1nccn1C
InChIInChI=1S/C9H17N5/c1-13(5-3-8(10)11)7-9-12-4-6-14(9)2/h4,6H,3,5,7H2,1-2H3,(H3,10,11)
InChIKeyAKDWYILBEXIFKG-UHFFFAOYSA-N
XLogP0.18
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.18
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-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide
CID 114528120
2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethoxy]propanimidamide
CID 114266428
2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide
CID 63013801
4-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethoxy]benzenecarboximidamide
CID 63013963
2-amino-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]butan-1-ol
CID 64792480
methyl 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
CID 62011854
3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propanimidamide
CID 61493494
3-[ethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanimidamide
CID 62940592
2-[methyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanethioamide
CID 114527904
N'-hydroxy-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanimidamide
CID 76982036
6-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]hexan-1-amine
CID 63026955
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 81079335

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide?
The IUPAC name of 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide (CID 63013799) is 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide.
What is the SMILES notation for 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide?
The canonical SMILES for 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide is [H]/N=C(\N)CCN(C)Cc1nccn1C.
What is the InChIKey of 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide?
The InChIKey is AKDWYILBEXIFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-13(5-3-8(10)11)7-9-12-4-6-14(9)2/h4,6H,3,5,7H2,1-2H3,(H3,10,11).
What are the key properties of 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide?
3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide has a molecular weight of 195.27 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide is sourced from PubChem (CID 63013799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).