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

C10H17N — CID 130178755

IUPAC(E)-2-tert-butyl-N-methylpent-1-en-4-yn-1-amine
SMILESC#CC/C(=C\NC)C(C)(C)C
InChIInChI=1S/C10H17N/c1-6-7-9(8-11-5)10(2,3)4/h1,8,11H,7H2,2-5H3/b9-8+
InChIKeyOHHWHILCWYQMHX-CMDGGOBGSA-N
MW151.25 g/mol
LogP2.16
Rot. Bonds2

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

(E)-2-tert-butyl-N-methylpent-1-en-4-yn-1-amine (PubChem CID 130178755) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (E)-2-tert-butyl-N-methylpent-1-en-4-yn-1-amine.

Molecular Properties

Compound Name(E)-2-tert-butyl-N-methylpent-1-en-4-yn-1-amine
PubChem CID130178755
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(E)-2-tert-butyl-N-methylpent-1-en-4-yn-1-amine
SMILESC#CC/C(=C\NC)C(C)(C)C
InChIInChI=1S/C10H17N/c1-6-7-9(8-11-5)10(2,3)4/h1,8,11H,7H2,2-5H3/b9-8+
InChIKeyOHHWHILCWYQMHX-CMDGGOBGSA-N
XLogP2.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
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-methylpent-1-en-4-yn-1-amine?
The IUPAC name of (E)-2-tert-butyl-N-methylpent-1-en-4-yn-1-amine (CID 130178755) is (E)-2-tert-butyl-N-methylpent-1-en-4-yn-1-amine.
What is the SMILES notation for (E)-2-tert-butyl-N-methylpent-1-en-4-yn-1-amine?
The canonical SMILES for (E)-2-tert-butyl-N-methylpent-1-en-4-yn-1-amine is C#CC/C(=C\NC)C(C)(C)C.
What is the InChIKey of (E)-2-tert-butyl-N-methylpent-1-en-4-yn-1-amine?
The InChIKey is OHHWHILCWYQMHX-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H17N/c1-6-7-9(8-11-5)10(2,3)4/h1,8,11H,7H2,2-5H3/b9-8+.
What are the key properties of (E)-2-tert-butyl-N-methylpent-1-en-4-yn-1-amine?
(E)-2-tert-butyl-N-methylpent-1-en-4-yn-1-amine has a molecular weight of 151.25 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-tert-butyl-N-methylpent-1-en-4-yn-1-amine is sourced from PubChem (CID 130178755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).