(Z)-3-tert-butyl-N-methylpent-2-en-4-yn-1-imine

C10H15N — CID 89016770

IUPAC(Z)-3-tert-butyl-N-methylpent-2-en-4-yn-1-imine
SMILESC#C/C(=C\C=N\C)C(C)(C)C
InChIInChI=1S/C10H15N/c1-6-9(7-8-11-5)10(2,3)4/h1,7-8H,2-5H3/b9-7+,11-8+
InChIKeySGILZSILUVEYLD-BIZFVBGRSA-N
MW149.24 g/mol
LogP2.29
Rot. Bonds1

About (Z)-3-tert-butyl-N-methylpent-2-en-4-yn-1-imine

(Z)-3-tert-butyl-N-methylpent-2-en-4-yn-1-imine (PubChem CID 89016770) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (Z)-3-tert-butyl-N-methylpent-2-en-4-yn-1-imine.

Molecular Properties

Compound Name(Z)-3-tert-butyl-N-methylpent-2-en-4-yn-1-imine
PubChem CID89016770
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(Z)-3-tert-butyl-N-methylpent-2-en-4-yn-1-imine
SMILESC#C/C(=C\C=N\C)C(C)(C)C
InChIInChI=1S/C10H15N/c1-6-9(7-8-11-5)10(2,3)4/h1,7-8H,2-5H3/b9-7+,11-8+
InChIKeySGILZSILUVEYLD-BIZFVBGRSA-N
XLogP2.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-tert-butyl-N-methylpent-2-en-4-yn-1-imine?
The IUPAC name of (Z)-3-tert-butyl-N-methylpent-2-en-4-yn-1-imine (CID 89016770) is (Z)-3-tert-butyl-N-methylpent-2-en-4-yn-1-imine.
What is the SMILES notation for (Z)-3-tert-butyl-N-methylpent-2-en-4-yn-1-imine?
The canonical SMILES for (Z)-3-tert-butyl-N-methylpent-2-en-4-yn-1-imine is C#C/C(=C\C=N\C)C(C)(C)C.
What is the InChIKey of (Z)-3-tert-butyl-N-methylpent-2-en-4-yn-1-imine?
The InChIKey is SGILZSILUVEYLD-BIZFVBGRSA-N. The full InChI is InChI=1S/C10H15N/c1-6-9(7-8-11-5)10(2,3)4/h1,7-8H,2-5H3/b9-7+,11-8+.
What are the key properties of (Z)-3-tert-butyl-N-methylpent-2-en-4-yn-1-imine?
(Z)-3-tert-butyl-N-methylpent-2-en-4-yn-1-imine has a molecular weight of 149.24 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-tert-butyl-N-methylpent-2-en-4-yn-1-imine is sourced from PubChem (CID 89016770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).