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

C10H19N5 — CID 63013801

IUPAC2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)Cc1nccn1C
InChIInChI=1S/C10H19N5/c1-8(10(11)12)6-14(2)7-9-13-4-5-15(9)3/h4-5,8H,6-7H2,1-3H3,(H3,11,12)
InChIKeyIRDITCRVRCFAMO-UHFFFAOYSA-N
MW209.30 g/mol
LogP0.42
Rot. Bonds5

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

2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide (PubChem CID 63013801) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide.

Molecular Properties

Compound Name2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide
PubChem CID63013801
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)Cc1nccn1C
InChIInChI=1S/C10H19N5/c1-8(10(11)12)6-14(2)7-9-13-4-5-15(9)3/h4-5,8H,6-7H2,1-3H3,(H3,11,12)
InChIKeyIRDITCRVRCFAMO-UHFFFAOYSA-N
XLogP0.42
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 50.42
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

2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanethioamide
CID 63015012
2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethoxy]propanimidamide
CID 114266428
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63015144
3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide
CID 63013799
2-amino-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]butan-1-ol
CID 64792480
2-methyl-3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide
CID 79235329
3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide
CID 114528120
N'-hydroxy-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanimidamide
CID 76982036
4-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethoxy]benzenecarboximidamide
CID 63013963
N-ethyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63025130
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 81079335
1-N,4-dimethyl-1-N-[(1-methylimidazol-2-yl)methyl]pentane-1,3-diamine
CID 115317863

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide?
The IUPAC name of 2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide (CID 63013801) is 2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide.
What is the SMILES notation for 2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide?
The canonical SMILES for 2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide is [H]/N=C(\N)C(C)CN(C)Cc1nccn1C.
What is the InChIKey of 2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide?
The InChIKey is IRDITCRVRCFAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-8(10(11)12)6-14(2)7-9-13-4-5-15(9)3/h4-5,8H,6-7H2,1-3H3,(H3,11,12).
What are the key properties of 2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide?
2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide has a molecular weight of 209.30 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide is sourced from PubChem (CID 63013801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).