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

C9H15N — CID 89371967

IUPAC(E)-N-ethyl-N,2-dimethylpent-2-en-4-yn-1-amine
SMILESC#C/C=C(\C)CN(C)CC
InChIInChI=1S/C9H15N/c1-5-7-9(3)8-10(4)6-2/h1,7H,6,8H2,2-4H3/b9-7+
InChIKeyMHVOCJVHBAPTRD-VQHVLOKHSA-N
MW137.23 g/mol
LogP1.52
Rot. Bonds3

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

(E)-N-ethyl-N,2-dimethylpent-2-en-4-yn-1-amine (PubChem CID 89371967) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (E)-N-ethyl-N,2-dimethylpent-2-en-4-yn-1-amine.

Molecular Properties

Compound Name(E)-N-ethyl-N,2-dimethylpent-2-en-4-yn-1-amine
PubChem CID89371967
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(E)-N-ethyl-N,2-dimethylpent-2-en-4-yn-1-amine
SMILESC#C/C=C(\C)CN(C)CC
InChIInChI=1S/C9H15N/c1-5-7-9(3)8-10(4)6-2/h1,7H,6,8H2,2-4H3/b9-7+
InChIKeyMHVOCJVHBAPTRD-VQHVLOKHSA-N
XLogP1.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.52
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)-N-ethyl-N,2-dimethylpent-2-en-4-yn-1-amine?
The IUPAC name of (E)-N-ethyl-N,2-dimethylpent-2-en-4-yn-1-amine (CID 89371967) is (E)-N-ethyl-N,2-dimethylpent-2-en-4-yn-1-amine.
What is the SMILES notation for (E)-N-ethyl-N,2-dimethylpent-2-en-4-yn-1-amine?
The canonical SMILES for (E)-N-ethyl-N,2-dimethylpent-2-en-4-yn-1-amine is C#C/C=C(\C)CN(C)CC.
What is the InChIKey of (E)-N-ethyl-N,2-dimethylpent-2-en-4-yn-1-amine?
The InChIKey is MHVOCJVHBAPTRD-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H15N/c1-5-7-9(3)8-10(4)6-2/h1,7H,6,8H2,2-4H3/b9-7+.
What are the key properties of (E)-N-ethyl-N,2-dimethylpent-2-en-4-yn-1-amine?
(E)-N-ethyl-N,2-dimethylpent-2-en-4-yn-1-amine has a molecular weight of 137.23 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-N,2-dimethylpent-2-en-4-yn-1-amine is sourced from PubChem (CID 89371967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).