N'-methyl-N-(methylaminomethyl)prop-2-ynimidamide

C6H11N3 — CID 134174067

IUPACN'-methyl-N-(methylaminomethyl)prop-2-ynimidamide
SMILESC#C/C(=N\C)NCNC
InChIInChI=1S/C6H11N3/c1-4-6(8-3)9-5-7-2/h1,7H,5H2,2-3H3,(H,8,9)
InChIKeyCYUFESNMNFVMFI-UHFFFAOYSA-N
MW125.17 g/mol
LogP-0.59
Rot. Bonds2

About N'-methyl-N-(methylaminomethyl)prop-2-ynimidamide

N'-methyl-N-(methylaminomethyl)prop-2-ynimidamide (PubChem CID 134174067) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is N'-methyl-N-(methylaminomethyl)prop-2-ynimidamide.

Molecular Properties

Compound NameN'-methyl-N-(methylaminomethyl)prop-2-ynimidamide
PubChem CID134174067
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC NameN'-methyl-N-(methylaminomethyl)prop-2-ynimidamide
SMILESC#C/C(=N\C)NCNC
InChIInChI=1S/C6H11N3/c1-4-6(8-3)9-5-7-2/h1,7H,5H2,2-3H3,(H,8,9)
InChIKeyCYUFESNMNFVMFI-UHFFFAOYSA-N
XLogP-0.59
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(methylaminomethyl)prop-2-ynimidamide?
The IUPAC name of N'-methyl-N-(methylaminomethyl)prop-2-ynimidamide (CID 134174067) is N'-methyl-N-(methylaminomethyl)prop-2-ynimidamide.
What is the SMILES notation for N'-methyl-N-(methylaminomethyl)prop-2-ynimidamide?
The canonical SMILES for N'-methyl-N-(methylaminomethyl)prop-2-ynimidamide is C#C/C(=N\C)NCNC.
What is the InChIKey of N'-methyl-N-(methylaminomethyl)prop-2-ynimidamide?
The InChIKey is CYUFESNMNFVMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-4-6(8-3)9-5-7-2/h1,7H,5H2,2-3H3,(H,8,9).
What are the key properties of N'-methyl-N-(methylaminomethyl)prop-2-ynimidamide?
N'-methyl-N-(methylaminomethyl)prop-2-ynimidamide has a molecular weight of 125.17 g/mol, XLogP of -0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(methylaminomethyl)prop-2-ynimidamide is sourced from PubChem (CID 134174067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).