N-ethenyl-2-methylimino-N-prop-1-enylethanimidamide

C8H13N3 — CID 123505656

IUPACN-ethenyl-2-methylimino-N-prop-1-enylethanimidamide
SMILES[H]/N=C(\C=N\C)N(C=C)C=CC
InChIInChI=1S/C8H13N3/c1-4-6-11(5-2)8(9)7-10-3/h4-7,9H,2H2,1,3H3/b6-4?,9-8+,10-7+
InChIKeyYNXPZFIBDRIGJI-OHLQQMSASA-N
MW151.21 g/mol
LogP1.64
Rot. Bonds3

About N-ethenyl-2-methylimino-N-prop-1-enylethanimidamide

N-ethenyl-2-methylimino-N-prop-1-enylethanimidamide (PubChem CID 123505656) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is N-ethenyl-2-methylimino-N-prop-1-enylethanimidamide.

Molecular Properties

Compound NameN-ethenyl-2-methylimino-N-prop-1-enylethanimidamide
PubChem CID123505656
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC NameN-ethenyl-2-methylimino-N-prop-1-enylethanimidamide
SMILES[H]/N=C(\C=N\C)N(C=C)C=CC
InChIInChI=1S/C8H13N3/c1-4-6-11(5-2)8(9)7-10-3/h4-7,9H,2H2,1,3H3/b6-4?,9-8+,10-7+
InChIKeyYNXPZFIBDRIGJI-OHLQQMSASA-N
XLogP1.64
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.64
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-2-methylimino-N-prop-1-enylethanimidamide?
The IUPAC name of N-ethenyl-2-methylimino-N-prop-1-enylethanimidamide (CID 123505656) is N-ethenyl-2-methylimino-N-prop-1-enylethanimidamide.
What is the SMILES notation for N-ethenyl-2-methylimino-N-prop-1-enylethanimidamide?
The canonical SMILES for N-ethenyl-2-methylimino-N-prop-1-enylethanimidamide is [H]/N=C(\C=N\C)N(C=C)C=CC.
What is the InChIKey of N-ethenyl-2-methylimino-N-prop-1-enylethanimidamide?
The InChIKey is YNXPZFIBDRIGJI-OHLQQMSASA-N. The full InChI is InChI=1S/C8H13N3/c1-4-6-11(5-2)8(9)7-10-3/h4-7,9H,2H2,1,3H3/b6-4?,9-8+,10-7+.
What are the key properties of N-ethenyl-2-methylimino-N-prop-1-enylethanimidamide?
N-ethenyl-2-methylimino-N-prop-1-enylethanimidamide has a molecular weight of 151.21 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2-methylimino-N-prop-1-enylethanimidamide is sourced from PubChem (CID 123505656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).