(E)-3-amino-N'-ethenyl-N-(methylideneamino)-N-propan-2-ylprop-2-enimidamide

C9H16N4 — CID 90437273

IUPAC(E)-3-amino-N'-ethenyl-N-(methylideneamino)-N-propan-2-ylprop-2-enimidamide
SMILESC=C/N=C(\C=C\N)N(N=C)C(C)C
InChIInChI=1S/C9H16N4/c1-5-12-9(6-7-10)13(11-4)8(2)3/h5-8H,1,4,10H2,2-3H3/b7-6+,12-9+
InChIKeyFAKOHNLQYOUJCA-ZICOIJLXSA-N
MW180.25 g/mol
LogP1.33
Rot. Bonds4

About (E)-3-amino-N'-ethenyl-N-(methylideneamino)-N-propan-2-ylprop-2-enimidamide

(E)-3-amino-N'-ethenyl-N-(methylideneamino)-N-propan-2-ylprop-2-enimidamide (PubChem CID 90437273) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is (E)-3-amino-N'-ethenyl-N-(methylideneamino)-N-propan-2-ylprop-2-enimidamide.

Molecular Properties

Compound Name(E)-3-amino-N'-ethenyl-N-(methylideneamino)-N-propan-2-ylprop-2-enimidamide
PubChem CID90437273
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name(E)-3-amino-N'-ethenyl-N-(methylideneamino)-N-propan-2-ylprop-2-enimidamide
SMILESC=C/N=C(\C=C\N)N(N=C)C(C)C
InChIInChI=1S/C9H16N4/c1-5-12-9(6-7-10)13(11-4)8(2)3/h5-8H,1,4,10H2,2-3H3/b7-6+,12-9+
InChIKeyFAKOHNLQYOUJCA-ZICOIJLXSA-N
XLogP1.33
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of (E)-3-amino-N'-ethenyl-N-(methylideneamino)-N-propan-2-ylprop-2-enimidamide?
The IUPAC name of (E)-3-amino-N'-ethenyl-N-(methylideneamino)-N-propan-2-ylprop-2-enimidamide (CID 90437273) is (E)-3-amino-N'-ethenyl-N-(methylideneamino)-N-propan-2-ylprop-2-enimidamide.
What is the SMILES notation for (E)-3-amino-N'-ethenyl-N-(methylideneamino)-N-propan-2-ylprop-2-enimidamide?
The canonical SMILES for (E)-3-amino-N'-ethenyl-N-(methylideneamino)-N-propan-2-ylprop-2-enimidamide is C=C/N=C(\C=C\N)N(N=C)C(C)C.
What is the InChIKey of (E)-3-amino-N'-ethenyl-N-(methylideneamino)-N-propan-2-ylprop-2-enimidamide?
The InChIKey is FAKOHNLQYOUJCA-ZICOIJLXSA-N. The full InChI is InChI=1S/C9H16N4/c1-5-12-9(6-7-10)13(11-4)8(2)3/h5-8H,1,4,10H2,2-3H3/b7-6+,12-9+.
What are the key properties of (E)-3-amino-N'-ethenyl-N-(methylideneamino)-N-propan-2-ylprop-2-enimidamide?
(E)-3-amino-N'-ethenyl-N-(methylideneamino)-N-propan-2-ylprop-2-enimidamide has a molecular weight of 180.25 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-N'-ethenyl-N-(methylideneamino)-N-propan-2-ylprop-2-enimidamide is sourced from PubChem (CID 90437273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).