N'-[(Z)-2-(propan-2-ylideneamino)prop-1-enyl]ethanimidamide

C8H15N3 — CID 134408487

IUPACN'-[(Z)-2-(propan-2-ylideneamino)prop-1-enyl]ethanimidamide
SMILESCC(C)=N/C(C)=C\N=C(/C)N
InChIInChI=1S/C8H15N3/c1-6(2)11-7(3)5-10-8(4)9/h5H,1-4H3,(H2,9,10)/b7-5-
InChIKeyUFYDXSGFAJWVIF-ALCCZGGFSA-N
MW153.23 g/mol
LogP1.71
Rot. Bonds2

About N'-[(Z)-2-(propan-2-ylideneamino)prop-1-enyl]ethanimidamide

N'-[(Z)-2-(propan-2-ylideneamino)prop-1-enyl]ethanimidamide (PubChem CID 134408487) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N'-[(Z)-2-(propan-2-ylideneamino)prop-1-enyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-2-(propan-2-ylideneamino)prop-1-enyl]ethanimidamide
PubChem CID134408487
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN'-[(Z)-2-(propan-2-ylideneamino)prop-1-enyl]ethanimidamide
SMILESCC(C)=N/C(C)=C\N=C(/C)N
InChIInChI=1S/C8H15N3/c1-6(2)11-7(3)5-10-8(4)9/h5H,1-4H3,(H2,9,10)/b7-5-
InChIKeyUFYDXSGFAJWVIF-ALCCZGGFSA-N
XLogP1.71
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.71
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'-[(Z)-2-(propan-2-ylideneamino)prop-1-enyl]ethanimidamide?
The IUPAC name of N'-[(Z)-2-(propan-2-ylideneamino)prop-1-enyl]ethanimidamide (CID 134408487) is N'-[(Z)-2-(propan-2-ylideneamino)prop-1-enyl]ethanimidamide.
What is the SMILES notation for N'-[(Z)-2-(propan-2-ylideneamino)prop-1-enyl]ethanimidamide?
The canonical SMILES for N'-[(Z)-2-(propan-2-ylideneamino)prop-1-enyl]ethanimidamide is CC(C)=N/C(C)=C\N=C(/C)N.
What is the InChIKey of N'-[(Z)-2-(propan-2-ylideneamino)prop-1-enyl]ethanimidamide?
The InChIKey is UFYDXSGFAJWVIF-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H15N3/c1-6(2)11-7(3)5-10-8(4)9/h5H,1-4H3,(H2,9,10)/b7-5-.
What are the key properties of N'-[(Z)-2-(propan-2-ylideneamino)prop-1-enyl]ethanimidamide?
N'-[(Z)-2-(propan-2-ylideneamino)prop-1-enyl]ethanimidamide has a molecular weight of 153.23 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-2-(propan-2-ylideneamino)prop-1-enyl]ethanimidamide is sourced from PubChem (CID 134408487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).