ethane;N'-methanimidoyl-N-methylidenemethanimidamide

C5H11N3 — CID 142833987

IUPACethane;N'-methanimidoyl-N-methylidenemethanimidamide
SMILESCC.[H]/N=C/N=C/N=C
InChIInChI=1S/C3H5N3.C2H6/c1-5-3-6-2-4;1-2/h2-4H,1H2;1-2H3/b4-2+,6-3+;
InChIKeyDZHTYSBYDSSUQL-SMFVCDBXSA-N
MW113.16 g/mol
LogP1.35
Rot. Bonds2

About ethane;N'-methanimidoyl-N-methylidenemethanimidamide

ethane;N'-methanimidoyl-N-methylidenemethanimidamide (PubChem CID 142833987) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is ethane;N'-methanimidoyl-N-methylidenemethanimidamide.

Molecular Properties

Compound Nameethane;N'-methanimidoyl-N-methylidenemethanimidamide
PubChem CID142833987
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Nameethane;N'-methanimidoyl-N-methylidenemethanimidamide
SMILESCC.[H]/N=C/N=C/N=C
InChIInChI=1S/C3H5N3.C2H6/c1-5-3-6-2-4;1-2/h2-4H,1H2;1-2H3/b4-2+,6-3+;
InChIKeyDZHTYSBYDSSUQL-SMFVCDBXSA-N
XLogP1.35
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.35
H-Bond Donors ≤ 51
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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Related Compounds

Ethane;2-methylguanidine
CID 91225804
N-methylidenemethanimidamide;propane
CID 91588466
N-(aminomethylidene)-N'-methylmethanimidamide;ethane
CID 141929924
N-(aminomethylidene)methanimidamide;ethane
CID 142058983
Ethane;2-methylguanidine;molecular hydrogen
CID 142083082
ethane;N-methylidene-N'-(methyliminomethyl)methanimidamide
CID 143329334
ethane;N'-methylmethanimidamide
CID 143416555
N-(aminomethylidene)methanimidamide;ethane
CID 144534962
N-(aminomethylidene)methanimidamide;propane
CID 144947195
ethane;N-methylidenemethanimidamide
CID 145063596
2-Ethyl-1-methylideneguanidine
CID 148069981
1,3-Dimethylideneguanidine;methane
CID 158965440

Frequently Asked Questions

What is the IUPAC name of ethane;N'-methanimidoyl-N-methylidenemethanimidamide?
The IUPAC name of ethane;N'-methanimidoyl-N-methylidenemethanimidamide (CID 142833987) is ethane;N'-methanimidoyl-N-methylidenemethanimidamide.
What is the SMILES notation for ethane;N'-methanimidoyl-N-methylidenemethanimidamide?
The canonical SMILES for ethane;N'-methanimidoyl-N-methylidenemethanimidamide is CC.[H]/N=C/N=C/N=C.
What is the InChIKey of ethane;N'-methanimidoyl-N-methylidenemethanimidamide?
The InChIKey is DZHTYSBYDSSUQL-SMFVCDBXSA-N. The full InChI is InChI=1S/C3H5N3.C2H6/c1-5-3-6-2-4;1-2/h2-4H,1H2;1-2H3/b4-2+,6-3+;.
What are the key properties of ethane;N'-methanimidoyl-N-methylidenemethanimidamide?
ethane;N'-methanimidoyl-N-methylidenemethanimidamide has a molecular weight of 113.16 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-methanimidoyl-N-methylidenemethanimidamide is sourced from PubChem (CID 142833987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).