[(Z)-2-methanimidoyl-3-methylbut-1-enyl]-propan-2-ylazanium

C9H19N2+ — CID 153364103

IUPAC[(Z)-2-methanimidoyl-3-methylbut-1-enyl]-propan-2-ylazanium
SMILES[H]/N=C/C(=C\[NH2+]C(C)C)C(C)C
InChIInChI=1S/C9H18N2/c1-7(2)9(5-10)6-11-8(3)4/h5-8,10-11H,1-4H3/p+1/b9-6+,10-5+
InChIKeyASPGPXGCCJAKMG-TXFIJWAUSA-O
MW155.27 g/mol
LogP1.15
Rot. Bonds4

About [(Z)-2-methanimidoyl-3-methylbut-1-enyl]-propan-2-ylazanium

[(Z)-2-methanimidoyl-3-methylbut-1-enyl]-propan-2-ylazanium (PubChem CID 153364103) has the molecular formula C9H19N2+ and a molecular weight of 155.27 g/mol. Its IUPAC name is [(Z)-2-methanimidoyl-3-methylbut-1-enyl]-propan-2-ylazanium.

Molecular Properties

Compound Name[(Z)-2-methanimidoyl-3-methylbut-1-enyl]-propan-2-ylazanium
PubChem CID153364103
Molecular FormulaC9H19N2+
Molecular Weight155.27 g/mol
Exact Mass155.15
IUPAC Name[(Z)-2-methanimidoyl-3-methylbut-1-enyl]-propan-2-ylazanium
SMILES[H]/N=C/C(=C\[NH2+]C(C)C)C(C)C
InChIInChI=1S/C9H18N2/c1-7(2)9(5-10)6-11-8(3)4/h5-8,10-11H,1-4H3/p+1/b9-6+,10-5+
InChIKeyASPGPXGCCJAKMG-TXFIJWAUSA-O
XLogP1.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-2-methanimidoyl-3-methylbut-1-enyl]-propan-2-ylazanium?
The IUPAC name of [(Z)-2-methanimidoyl-3-methylbut-1-enyl]-propan-2-ylazanium (CID 153364103) is [(Z)-2-methanimidoyl-3-methylbut-1-enyl]-propan-2-ylazanium.
What is the SMILES notation for [(Z)-2-methanimidoyl-3-methylbut-1-enyl]-propan-2-ylazanium?
The canonical SMILES for [(Z)-2-methanimidoyl-3-methylbut-1-enyl]-propan-2-ylazanium is [H]/N=C/C(=C\[NH2+]C(C)C)C(C)C.
What is the InChIKey of [(Z)-2-methanimidoyl-3-methylbut-1-enyl]-propan-2-ylazanium?
The InChIKey is ASPGPXGCCJAKMG-TXFIJWAUSA-O. The full InChI is InChI=1S/C9H18N2/c1-7(2)9(5-10)6-11-8(3)4/h5-8,10-11H,1-4H3/p+1/b9-6+,10-5+.
What are the key properties of [(Z)-2-methanimidoyl-3-methylbut-1-enyl]-propan-2-ylazanium?
[(Z)-2-methanimidoyl-3-methylbut-1-enyl]-propan-2-ylazanium has a molecular weight of 155.27 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-methanimidoyl-3-methylbut-1-enyl]-propan-2-ylazanium is sourced from PubChem (CID 153364103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).