ethane;N-methylidene-N'-(methyliminomethyl)methanimidamide

C6H13N3 — CID 143329334

IUPACethane;N-methylidene-N'-(methyliminomethyl)methanimidamide
SMILESC=N/C=N/C=N/C.CC
InChIInChI=1S/C4H7N3.C2H6/c1-5-3-7-4-6-2;1-2/h3-4H,1H2,2H3;1-2H3/b6-4+,7-3+;
InChIKeyDTDXTIYSSOLFAX-BMQJZVILSA-N
MW127.19 g/mol
LogP1.40
Rot. Bonds2

About ethane;N-methylidene-N'-(methyliminomethyl)methanimidamide

ethane;N-methylidene-N'-(methyliminomethyl)methanimidamide (PubChem CID 143329334) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is ethane;N-methylidene-N'-(methyliminomethyl)methanimidamide.

Molecular Properties

Compound Nameethane;N-methylidene-N'-(methyliminomethyl)methanimidamide
PubChem CID143329334
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Nameethane;N-methylidene-N'-(methyliminomethyl)methanimidamide
SMILESC=N/C=N/C=N/C.CC
InChIInChI=1S/C4H7N3.C2H6/c1-5-3-7-4-6-2;1-2/h3-4H,1H2,2H3;1-2H3/b6-4+,7-3+;
InChIKeyDTDXTIYSSOLFAX-BMQJZVILSA-N
XLogP1.40
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 ethane;N-methylidene-N'-(methyliminomethyl)methanimidamide?
The IUPAC name of ethane;N-methylidene-N'-(methyliminomethyl)methanimidamide (CID 143329334) is ethane;N-methylidene-N'-(methyliminomethyl)methanimidamide.
What is the SMILES notation for ethane;N-methylidene-N'-(methyliminomethyl)methanimidamide?
The canonical SMILES for ethane;N-methylidene-N'-(methyliminomethyl)methanimidamide is C=N/C=N/C=N/C.CC.
What is the InChIKey of ethane;N-methylidene-N'-(methyliminomethyl)methanimidamide?
The InChIKey is DTDXTIYSSOLFAX-BMQJZVILSA-N. The full InChI is InChI=1S/C4H7N3.C2H6/c1-5-3-7-4-6-2;1-2/h3-4H,1H2,2H3;1-2H3/b6-4+,7-3+;.
What are the key properties of ethane;N-methylidene-N'-(methyliminomethyl)methanimidamide?
ethane;N-methylidene-N'-(methyliminomethyl)methanimidamide has a molecular weight of 127.19 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methylidene-N'-(methyliminomethyl)methanimidamide is sourced from PubChem (CID 143329334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).