ethane;N'-(ethenylamino)methanimidamide

C5H13N3 — CID 142318821

IUPACethane;N'-(ethenylamino)methanimidamide
SMILESC=CN/N=C\N.CC
InChIInChI=1S/C3H7N3.C2H6/c1-2-5-6-3-4;1-2/h2-3,5H,1H2,(H2,4,6);1-2H3
InChIKeyNIKMQNVASVDSJE-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.65
Rot. Bonds2

About ethane;N'-(ethenylamino)methanimidamide

ethane;N'-(ethenylamino)methanimidamide (PubChem CID 142318821) has the molecular formula C5H13N3 and a molecular weight of 115.18 g/mol. Its IUPAC name is ethane;N'-(ethenylamino)methanimidamide.

Molecular Properties

Compound Nameethane;N'-(ethenylamino)methanimidamide
PubChem CID142318821
Molecular FormulaC5H13N3
Molecular Weight115.18 g/mol
Exact Mass115.11
IUPAC Nameethane;N'-(ethenylamino)methanimidamide
SMILESC=CN/N=C\N.CC
InChIInChI=1S/C3H7N3.C2H6/c1-2-5-6-3-4;1-2/h2-3,5H,1H2,(H2,4,6);1-2H3
InChIKeyNIKMQNVASVDSJE-UHFFFAOYSA-N
XLogP0.65
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;ethenylhydrazine
CID 170974612
N'-(ethenylamino)-N-methyl-N-propan-2-ylmethanimidamide
CID 129015789
N'-(2,2-dimethylhydrazinyl)methanimidamide
CID 152801962
ethane;N-methylethenamine
CID 143349321
N-[(E)-(2,4,5-trimethylphenyl)methylideneamino]ethenamine
CID 166830045
(112C)ethenamine
CID 173062115
ethane;N'-prop-1-en-2-ylmethanimidamide
CID 164916577
cyclopropane;ethane;ethenamine;propane
CID 165407698
(Z)-3-amino-N-ethenyl-N'-methylprop-2-enimidamide
CID 89191764
ethane;bis(prop-1-ene)
CID 91426438
ethenamine;dihydrofluoride
CID 173097508
ethenamine;lanthanum
CID 174732370

Frequently Asked Questions

What is the IUPAC name of ethane;N'-(ethenylamino)methanimidamide?
The IUPAC name of ethane;N'-(ethenylamino)methanimidamide (CID 142318821) is ethane;N'-(ethenylamino)methanimidamide.
What is the SMILES notation for ethane;N'-(ethenylamino)methanimidamide?
The canonical SMILES for ethane;N'-(ethenylamino)methanimidamide is C=CN/N=C\N.CC.
What is the InChIKey of ethane;N'-(ethenylamino)methanimidamide?
The InChIKey is NIKMQNVASVDSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3.C2H6/c1-2-5-6-3-4;1-2/h2-3,5H,1H2,(H2,4,6);1-2H3.
What are the key properties of ethane;N'-(ethenylamino)methanimidamide?
ethane;N'-(ethenylamino)methanimidamide has a molecular weight of 115.18 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-(ethenylamino)methanimidamide is sourced from PubChem (CID 142318821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).