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

C7H13N — CID 88995179

IUPAC(Z)-2-propan-2-ylbut-2-en-1-imine
SMILES[H]/N=C/C(=C\C)C(C)C
InChIInChI=1S/C7H13N/c1-4-7(5-8)6(2)3/h4-6,8H,1-3H3/b7-4+,8-5+
InChIKeyLHKNQOPKJSIZMU-NSLJXJERSA-N
MW111.19 g/mol
LogP2.24
Rot. Bonds2

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

(Z)-2-propan-2-ylbut-2-en-1-imine (PubChem CID 88995179) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (Z)-2-propan-2-ylbut-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2-propan-2-ylbut-2-en-1-imine
PubChem CID88995179
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(Z)-2-propan-2-ylbut-2-en-1-imine
SMILES[H]/N=C/C(=C\C)C(C)C
InChIInChI=1S/C7H13N/c1-4-7(5-8)6(2)3/h4-6,8H,1-3H3/b7-4+,8-5+
InChIKeyLHKNQOPKJSIZMU-NSLJXJERSA-N
XLogP2.24
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 52.24
H-Bond Donors ≤ 51
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-propan-2-ylbut-2-en-1-imine?
The IUPAC name of (Z)-2-propan-2-ylbut-2-en-1-imine (CID 88995179) is (Z)-2-propan-2-ylbut-2-en-1-imine.
What is the SMILES notation for (Z)-2-propan-2-ylbut-2-en-1-imine?
The canonical SMILES for (Z)-2-propan-2-ylbut-2-en-1-imine is [H]/N=C/C(=C\C)C(C)C.
What is the InChIKey of (Z)-2-propan-2-ylbut-2-en-1-imine?
The InChIKey is LHKNQOPKJSIZMU-NSLJXJERSA-N. The full InChI is InChI=1S/C7H13N/c1-4-7(5-8)6(2)3/h4-6,8H,1-3H3/b7-4+,8-5+.
What are the key properties of (Z)-2-propan-2-ylbut-2-en-1-imine?
(Z)-2-propan-2-ylbut-2-en-1-imine has a molecular weight of 111.19 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-propan-2-ylbut-2-en-1-imine is sourced from PubChem (CID 88995179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).