methanimidamide;N'-methylmethanimidamide

C3H10N4 — CID 135346702

IUPACmethanimidamide;N'-methylmethanimidamide
SMILESC/N=C/N.[H]/N=C/N
InChIInChI=1S/C2H6N2.CH4N2/c1-4-2-3;2-1-3/h2H,1H3,(H2,3,4);1H,(H3,2,3)
InChIKeyXMYVLBKTXXHGOB-UHFFFAOYSA-N
MW102.14 g/mol
LogP-0.84
Rot. Bonds

About methanimidamide;N'-methylmethanimidamide

methanimidamide;N'-methylmethanimidamide (PubChem CID 135346702) has the molecular formula C3H10N4 and a molecular weight of 102.14 g/mol. Its IUPAC name is methanimidamide;N'-methylmethanimidamide.

Molecular Properties

Compound Namemethanimidamide;N'-methylmethanimidamide
PubChem CID135346702
Molecular FormulaC3H10N4
Molecular Weight102.14 g/mol
Exact Mass102.09
IUPAC Namemethanimidamide;N'-methylmethanimidamide
SMILESC/N=C/N.[H]/N=C/N
InChIInChI=1S/C2H6N2.CH4N2/c1-4-2-3;2-1-3/h2H,1H3,(H2,3,4);1H,(H3,2,3)
InChIKeyXMYVLBKTXXHGOB-UHFFFAOYSA-N
XLogP-0.84
TPSA88.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanimidamide;N'-methylmethanimidamide?
The IUPAC name of methanimidamide;N'-methylmethanimidamide (CID 135346702) is methanimidamide;N'-methylmethanimidamide.
What is the SMILES notation for methanimidamide;N'-methylmethanimidamide?
The canonical SMILES for methanimidamide;N'-methylmethanimidamide is C/N=C/N.[H]/N=C/N.
What is the InChIKey of methanimidamide;N'-methylmethanimidamide?
The InChIKey is XMYVLBKTXXHGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2.CH4N2/c1-4-2-3;2-1-3/h2H,1H3,(H2,3,4);1H,(H3,2,3).
What are the key properties of methanimidamide;N'-methylmethanimidamide?
methanimidamide;N'-methylmethanimidamide has a molecular weight of 102.14 g/mol, XLogP of -0.84, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanimidamide;N'-methylmethanimidamide is sourced from PubChem (CID 135346702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).