N'-[(Z)-2-propan-2-ylbut-2-enyl]ethane-1,2-diimine

C9H16N2 — CID 167086019

IUPACN'-[(Z)-2-propan-2-ylbut-2-enyl]ethane-1,2-diimine
SMILES[H]/N=C/C=N/C/C(=C\C)C(C)C
InChIInChI=1S/C9H16N2/c1-4-9(8(2)3)7-11-6-5-10/h4-6,8,10H,7H2,1-3H3/b9-4+,10-5+,11-6+
InChIKeyAPOFUTYUPLTHSD-RYRBNAPQSA-N
MW152.24 g/mol
LogP2.31
Rot. Bonds4

About N'-[(Z)-2-propan-2-ylbut-2-enyl]ethane-1,2-diimine

N'-[(Z)-2-propan-2-ylbut-2-enyl]ethane-1,2-diimine (PubChem CID 167086019) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N'-[(Z)-2-propan-2-ylbut-2-enyl]ethane-1,2-diimine.

Molecular Properties

Compound NameN'-[(Z)-2-propan-2-ylbut-2-enyl]ethane-1,2-diimine
PubChem CID167086019
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN'-[(Z)-2-propan-2-ylbut-2-enyl]ethane-1,2-diimine
SMILES[H]/N=C/C=N/C/C(=C\C)C(C)C
InChIInChI=1S/C9H16N2/c1-4-9(8(2)3)7-11-6-5-10/h4-6,8,10H,7H2,1-3H3/b9-4+,10-5+,11-6+
InChIKeyAPOFUTYUPLTHSD-RYRBNAPQSA-N
XLogP2.31
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-2-propan-2-ylbut-2-enyl]ethane-1,2-diimine?
The IUPAC name of N'-[(Z)-2-propan-2-ylbut-2-enyl]ethane-1,2-diimine (CID 167086019) is N'-[(Z)-2-propan-2-ylbut-2-enyl]ethane-1,2-diimine.
What is the SMILES notation for N'-[(Z)-2-propan-2-ylbut-2-enyl]ethane-1,2-diimine?
The canonical SMILES for N'-[(Z)-2-propan-2-ylbut-2-enyl]ethane-1,2-diimine is [H]/N=C/C=N/C/C(=C\C)C(C)C.
What is the InChIKey of N'-[(Z)-2-propan-2-ylbut-2-enyl]ethane-1,2-diimine?
The InChIKey is APOFUTYUPLTHSD-RYRBNAPQSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-9(8(2)3)7-11-6-5-10/h4-6,8,10H,7H2,1-3H3/b9-4+,10-5+,11-6+.
What are the key properties of N'-[(Z)-2-propan-2-ylbut-2-enyl]ethane-1,2-diimine?
N'-[(Z)-2-propan-2-ylbut-2-enyl]ethane-1,2-diimine has a molecular weight of 152.24 g/mol, XLogP of 2.31, 4 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-ylbut-2-enyl]ethane-1,2-diimine is sourced from PubChem (CID 167086019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).