(Z)-N-ethenyl-2-propan-2-ylbut-2-en-1-imine

C9H15N — CID 126522127

IUPAC(Z)-N-ethenyl-2-propan-2-ylbut-2-en-1-imine
SMILESC=C/N=C/C(=C\C)C(C)C
InChIInChI=1S/C9H15N/c1-5-9(8(3)4)7-10-6-2/h5-8H,2H2,1,3-4H3/b9-5+,10-7+
InChIKeyIZAKXIWZBFNWGP-FWMCCXIMSA-N
MW137.23 g/mol
LogP2.80
Rot. Bonds3

About (Z)-N-ethenyl-2-propan-2-ylbut-2-en-1-imine

(Z)-N-ethenyl-2-propan-2-ylbut-2-en-1-imine (PubChem CID 126522127) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (Z)-N-ethenyl-2-propan-2-ylbut-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-ethenyl-2-propan-2-ylbut-2-en-1-imine
PubChem CID126522127
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(Z)-N-ethenyl-2-propan-2-ylbut-2-en-1-imine
SMILESC=C/N=C/C(=C\C)C(C)C
InChIInChI=1S/C9H15N/c1-5-9(8(3)4)7-10-6-2/h5-8H,2H2,1,3-4H3/b9-5+,10-7+
InChIKeyIZAKXIWZBFNWGP-FWMCCXIMSA-N
XLogP2.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.80
H-Bond Donors ≤ 50
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)-N-ethenyl-2-propan-2-ylbut-2-en-1-imine?
The IUPAC name of (Z)-N-ethenyl-2-propan-2-ylbut-2-en-1-imine (CID 126522127) is (Z)-N-ethenyl-2-propan-2-ylbut-2-en-1-imine.
What is the SMILES notation for (Z)-N-ethenyl-2-propan-2-ylbut-2-en-1-imine?
The canonical SMILES for (Z)-N-ethenyl-2-propan-2-ylbut-2-en-1-imine is C=C/N=C/C(=C\C)C(C)C.
What is the InChIKey of (Z)-N-ethenyl-2-propan-2-ylbut-2-en-1-imine?
The InChIKey is IZAKXIWZBFNWGP-FWMCCXIMSA-N. The full InChI is InChI=1S/C9H15N/c1-5-9(8(3)4)7-10-6-2/h5-8H,2H2,1,3-4H3/b9-5+,10-7+.
What are the key properties of (Z)-N-ethenyl-2-propan-2-ylbut-2-en-1-imine?
(Z)-N-ethenyl-2-propan-2-ylbut-2-en-1-imine has a molecular weight of 137.23 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethenyl-2-propan-2-ylbut-2-en-1-imine is sourced from PubChem (CID 126522127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).