ethane;N'-methyl-N-methyliminoethanimidamide

C6H15N3 — CID 145279493

IUPACethane;N'-methyl-N-methyliminoethanimidamide
SMILESC/N=N/C(C)=N/C.CC
InChIInChI=1S/C4H9N3.C2H6/c1-4(5-2)7-6-3;1-2/h1-3H3;1-2H3/b5-4+,7-6+;
InChIKeyBZJANFUXXKKVSP-QDGXTOJKSA-N
MW129.21 g/mol
LogP2.14
Rot. Bonds

About ethane;N'-methyl-N-methyliminoethanimidamide

ethane;N'-methyl-N-methyliminoethanimidamide (PubChem CID 145279493) has the molecular formula C6H15N3 and a molecular weight of 129.21 g/mol. Its IUPAC name is ethane;N'-methyl-N-methyliminoethanimidamide.

Molecular Properties

Compound Nameethane;N'-methyl-N-methyliminoethanimidamide
PubChem CID145279493
Molecular FormulaC6H15N3
Molecular Weight129.21 g/mol
Exact Mass129.13
IUPAC Nameethane;N'-methyl-N-methyliminoethanimidamide
SMILESC/N=N/C(C)=N/C.CC
InChIInChI=1S/C4H9N3.C2H6/c1-4(5-2)7-6-3;1-2/h1-3H3;1-2H3/b5-4+,7-6+;
InChIKeyBZJANFUXXKKVSP-QDGXTOJKSA-N
XLogP2.14
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.21
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'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'-methyl-N-methyliminoethanimidamide?
The IUPAC name of ethane;N'-methyl-N-methyliminoethanimidamide (CID 145279493) is ethane;N'-methyl-N-methyliminoethanimidamide.
What is the SMILES notation for ethane;N'-methyl-N-methyliminoethanimidamide?
The canonical SMILES for ethane;N'-methyl-N-methyliminoethanimidamide is C/N=N/C(C)=N/C.CC.
What is the InChIKey of ethane;N'-methyl-N-methyliminoethanimidamide?
The InChIKey is BZJANFUXXKKVSP-QDGXTOJKSA-N. The full InChI is InChI=1S/C4H9N3.C2H6/c1-4(5-2)7-6-3;1-2/h1-3H3;1-2H3/b5-4+,7-6+;.
What are the key properties of ethane;N'-methyl-N-methyliminoethanimidamide?
ethane;N'-methyl-N-methyliminoethanimidamide has a molecular weight of 129.21 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-methyl-N-methyliminoethanimidamide is sourced from PubChem (CID 145279493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).