2-ethanimidoyl-3-methylbut-2-enimidamide;molecular hydrogen

C7H15N3 — CID 176553349

IUPAC2-ethanimidoyl-3-methylbut-2-enimidamide;molecular hydrogen
SMILES[H]/N=C(\N)C(=C(C)C)/C(C)=N/[H].[H][H]
InChIInChI=1S/C7H13N3.H2/c1-4(2)6(5(3)8)7(9)10;/h8H,1-3H3,(H3,9,10);1H/b8-5+;
InChIKeyXIBQWHRXNXTUAG-HAAWTFQLSA-N
MW141.22 g/mol
LogP1.54
Rot. Bonds2

About 2-ethanimidoyl-3-methylbut-2-enimidamide;molecular hydrogen

2-ethanimidoyl-3-methylbut-2-enimidamide;molecular hydrogen (PubChem CID 176553349) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 2-ethanimidoyl-3-methylbut-2-enimidamide;molecular hydrogen.

Molecular Properties

Compound Name2-ethanimidoyl-3-methylbut-2-enimidamide;molecular hydrogen
PubChem CID176553349
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name2-ethanimidoyl-3-methylbut-2-enimidamide;molecular hydrogen
SMILES[H]/N=C(\N)C(=C(C)C)/C(C)=N/[H].[H][H]
InChIInChI=1S/C7H13N3.H2/c1-4(2)6(5(3)8)7(9)10;/h8H,1-3H3,(H3,9,10);1H/b8-5+;
InChIKeyXIBQWHRXNXTUAG-HAAWTFQLSA-N
XLogP1.54
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 51.54
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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Related Compounds

2-iminopropanimidamide
CID 174066114
ethanediimidamide;trihydrochloride
CID 139639987
(Z)-4-iminopent-2-en-3-amine
CID 147180053
(Z)-2-tert-butyl-3-hydroxybut-2-enimidamide
CID 137274386
(Z)-2-carbamimidoyl-4-imino-3-methylbut-2-enamide
CID 142449520
cobalt;ethanimidamide
CID 162055614
(4-amino-3-chloro-4-iminobut-2-en-2-yl)-methylazanium
CID 163855061
2-ethanimidoyl-3-hydroxy-N-methylbut-2-enamide
CID 137205830
ethanimidamide;guanidine
CID 160661984
ethanimidamide;hydrate;hydrochloride
CID 160733537
(E)-3-ethanimidoyl-4-methylpent-2-en-2-amine
CID 146526722
(N-ethanimidoyl-C-methylcarbonimidoyl)azanide
CID 102169739

Frequently Asked Questions

What is the IUPAC name of 2-ethanimidoyl-3-methylbut-2-enimidamide;molecular hydrogen?
The IUPAC name of 2-ethanimidoyl-3-methylbut-2-enimidamide;molecular hydrogen (CID 176553349) is 2-ethanimidoyl-3-methylbut-2-enimidamide;molecular hydrogen.
What is the SMILES notation for 2-ethanimidoyl-3-methylbut-2-enimidamide;molecular hydrogen?
The canonical SMILES for 2-ethanimidoyl-3-methylbut-2-enimidamide;molecular hydrogen is [H]/N=C(\N)C(=C(C)C)/C(C)=N/[H].[H][H].
What is the InChIKey of 2-ethanimidoyl-3-methylbut-2-enimidamide;molecular hydrogen?
The InChIKey is XIBQWHRXNXTUAG-HAAWTFQLSA-N. The full InChI is InChI=1S/C7H13N3.H2/c1-4(2)6(5(3)8)7(9)10;/h8H,1-3H3,(H3,9,10);1H/b8-5+;.
What are the key properties of 2-ethanimidoyl-3-methylbut-2-enimidamide;molecular hydrogen?
2-ethanimidoyl-3-methylbut-2-enimidamide;molecular hydrogen has a molecular weight of 141.22 g/mol, XLogP of 1.54, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethanimidoyl-3-methylbut-2-enimidamide;molecular hydrogen is sourced from PubChem (CID 176553349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).