N'-[(Z)-[3-acetyl-5-(2-methylpropyl)phenyl]methylideneamino]-2-aminoethanimidamide

C15H22N4O — CID 172959806

IUPACN'-[(Z)-[3-acetyl-5-(2-methylpropyl)phenyl]methylideneamino]-2-aminoethanimidamide
SMILESCC(=O)c1cc(/C=N\N=C(N)CN)cc(CC(C)C)c1
InChIInChI=1S/C15H22N4O/c1-10(2)4-12-5-13(7-14(6-12)11(3)20)9-18-19-15(17)8-16/h5-7,9-10H,4,8,16H2,1-3H3,(H2,17,19)/b18-9-
InChIKeyBSNWMEOQDKCTPW-NVMNQCDNSA-N
MW274.37 g/mol
LogP1.74
Rot. Bonds6

About N'-[(Z)-[3-acetyl-5-(2-methylpropyl)phenyl]methylideneamino]-2-aminoethanimidamide

N'-[(Z)-[3-acetyl-5-(2-methylpropyl)phenyl]methylideneamino]-2-aminoethanimidamide (PubChem CID 172959806) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N'-[(Z)-[3-acetyl-5-(2-methylpropyl)phenyl]methylideneamino]-2-aminoethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-[3-acetyl-5-(2-methylpropyl)phenyl]methylideneamino]-2-aminoethanimidamide
PubChem CID172959806
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN'-[(Z)-[3-acetyl-5-(2-methylpropyl)phenyl]methylideneamino]-2-aminoethanimidamide
SMILESCC(=O)c1cc(/C=N\N=C(N)CN)cc(CC(C)C)c1
InChIInChI=1S/C15H22N4O/c1-10(2)4-12-5-13(7-14(6-12)11(3)20)9-18-19-15(17)8-16/h5-7,9-10H,4,8,16H2,1-3H3,(H2,17,19)/b18-9-
InChIKeyBSNWMEOQDKCTPW-NVMNQCDNSA-N
XLogP1.74
TPSA93.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N'-[(Z)-[3-acetyl-5-(2-methylpropyl)phenyl]methylideneamino]-2-aminoethanimidamide?
The IUPAC name of N'-[(Z)-[3-acetyl-5-(2-methylpropyl)phenyl]methylideneamino]-2-aminoethanimidamide (CID 172959806) is N'-[(Z)-[3-acetyl-5-(2-methylpropyl)phenyl]methylideneamino]-2-aminoethanimidamide.
What is the SMILES notation for N'-[(Z)-[3-acetyl-5-(2-methylpropyl)phenyl]methylideneamino]-2-aminoethanimidamide?
The canonical SMILES for N'-[(Z)-[3-acetyl-5-(2-methylpropyl)phenyl]methylideneamino]-2-aminoethanimidamide is CC(=O)c1cc(/C=N\N=C(N)CN)cc(CC(C)C)c1.
What is the InChIKey of N'-[(Z)-[3-acetyl-5-(2-methylpropyl)phenyl]methylideneamino]-2-aminoethanimidamide?
The InChIKey is BSNWMEOQDKCTPW-NVMNQCDNSA-N. The full InChI is InChI=1S/C15H22N4O/c1-10(2)4-12-5-13(7-14(6-12)11(3)20)9-18-19-15(17)8-16/h5-7,9-10H,4,8,16H2,1-3H3,(H2,17,19)/b18-9-.
What are the key properties of N'-[(Z)-[3-acetyl-5-(2-methylpropyl)phenyl]methylideneamino]-2-aminoethanimidamide?
N'-[(Z)-[3-acetyl-5-(2-methylpropyl)phenyl]methylideneamino]-2-aminoethanimidamide has a molecular weight of 274.37 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[3-acetyl-5-(2-methylpropyl)phenyl]methylideneamino]-2-aminoethanimidamide is sourced from PubChem (CID 172959806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).