(Z)-N-tert-butylbut-2-en-1-imine

C8H15N — CID 5356232

IUPAC(Z)-N-tert-butylbut-2-en-1-imine
SMILESC/C=C\C=N\C(C)(C)C
InChIInChI=1S/C8H15N/c1-5-6-7-9-8(2,3)4/h5-7H,1-4H3/b6-5-,9-7+
InChIKeyORPGAOYOWYKKCL-BZWSEGBZSA-N
MW125.21 g/mol
LogP2.43
Rot. Bonds1

About (Z)-N-tert-butylbut-2-en-1-imine

(Z)-N-tert-butylbut-2-en-1-imine (PubChem CID 5356232) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (Z)-N-tert-butylbut-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-tert-butylbut-2-en-1-imine
PubChem CID5356232
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(Z)-N-tert-butylbut-2-en-1-imine
SMILESC/C=C\C=N\C(C)(C)C
InChIInChI=1S/C8H15N/c1-5-6-7-9-8(2,3)4/h5-7H,1-4H3/b6-5-,9-7+
InChIKeyORPGAOYOWYKKCL-BZWSEGBZSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.43
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-tert-butylbut-2-en-1-imine?
The IUPAC name of (Z)-N-tert-butylbut-2-en-1-imine (CID 5356232) is (Z)-N-tert-butylbut-2-en-1-imine.
What is the SMILES notation for (Z)-N-tert-butylbut-2-en-1-imine?
The canonical SMILES for (Z)-N-tert-butylbut-2-en-1-imine is C/C=C\C=N\C(C)(C)C.
What is the InChIKey of (Z)-N-tert-butylbut-2-en-1-imine?
The InChIKey is ORPGAOYOWYKKCL-BZWSEGBZSA-N. The full InChI is InChI=1S/C8H15N/c1-5-6-7-9-8(2,3)4/h5-7H,1-4H3/b6-5-,9-7+.
What are the key properties of (Z)-N-tert-butylbut-2-en-1-imine?
(Z)-N-tert-butylbut-2-en-1-imine has a molecular weight of 125.21 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-tert-butylbut-2-en-1-imine is sourced from PubChem (CID 5356232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).