(E)-2-tert-butyl-N,N-dimethylpent-1-en-4-yn-1-amine

C11H19N — CID 130435575

IUPAC(E)-2-tert-butyl-N,N-dimethylpent-1-en-4-yn-1-amine
SMILESC#CC/C(=C\N(C)C)C(C)(C)C
InChIInChI=1S/C11H19N/c1-7-8-10(9-12(5)6)11(2,3)4/h1,9H,8H2,2-6H3/b10-9+
InChIKeyIQZRKYLYSDHRFK-MDZDMXLPSA-N
MW165.28 g/mol
LogP2.50
Rot. Bonds2

About (E)-2-tert-butyl-N,N-dimethylpent-1-en-4-yn-1-amine

(E)-2-tert-butyl-N,N-dimethylpent-1-en-4-yn-1-amine (PubChem CID 130435575) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (E)-2-tert-butyl-N,N-dimethylpent-1-en-4-yn-1-amine.

Molecular Properties

Compound Name(E)-2-tert-butyl-N,N-dimethylpent-1-en-4-yn-1-amine
PubChem CID130435575
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(E)-2-tert-butyl-N,N-dimethylpent-1-en-4-yn-1-amine
SMILESC#CC/C(=C\N(C)C)C(C)(C)C
InChIInChI=1S/C11H19N/c1-7-8-10(9-12(5)6)11(2,3)4/h1,9H,8H2,2-6H3/b10-9+
InChIKeyIQZRKYLYSDHRFK-MDZDMXLPSA-N
XLogP2.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-tert-butyl-N,N-dimethylpent-1-en-4-yn-1-amine?
The IUPAC name of (E)-2-tert-butyl-N,N-dimethylpent-1-en-4-yn-1-amine (CID 130435575) is (E)-2-tert-butyl-N,N-dimethylpent-1-en-4-yn-1-amine.
What is the SMILES notation for (E)-2-tert-butyl-N,N-dimethylpent-1-en-4-yn-1-amine?
The canonical SMILES for (E)-2-tert-butyl-N,N-dimethylpent-1-en-4-yn-1-amine is C#CC/C(=C\N(C)C)C(C)(C)C.
What is the InChIKey of (E)-2-tert-butyl-N,N-dimethylpent-1-en-4-yn-1-amine?
The InChIKey is IQZRKYLYSDHRFK-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H19N/c1-7-8-10(9-12(5)6)11(2,3)4/h1,9H,8H2,2-6H3/b10-9+.
What are the key properties of (E)-2-tert-butyl-N,N-dimethylpent-1-en-4-yn-1-amine?
(E)-2-tert-butyl-N,N-dimethylpent-1-en-4-yn-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-tert-butyl-N,N-dimethylpent-1-en-4-yn-1-amine is sourced from PubChem (CID 130435575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).