(E)-2-ethenyl-N-methyl-N-propan-2-ylpent-2-en-4-yn-1-amine

C11H17N — CID 134254931

IUPAC(E)-2-ethenyl-N-methyl-N-propan-2-ylpent-2-en-4-yn-1-amine
SMILESC#C/C=C(\C=C)CN(C)C(C)C
InChIInChI=1S/C11H17N/c1-6-8-11(7-2)9-12(5)10(3)4/h1,7-8,10H,2,9H2,3-5H3/b11-8+
InChIKeyQJAVSDIGLYDMQK-DHZHZOJOSA-N
MW163.26 g/mol
LogP2.07
Rot. Bonds4

About (E)-2-ethenyl-N-methyl-N-propan-2-ylpent-2-en-4-yn-1-amine

(E)-2-ethenyl-N-methyl-N-propan-2-ylpent-2-en-4-yn-1-amine (PubChem CID 134254931) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (E)-2-ethenyl-N-methyl-N-propan-2-ylpent-2-en-4-yn-1-amine.

Molecular Properties

Compound Name(E)-2-ethenyl-N-methyl-N-propan-2-ylpent-2-en-4-yn-1-amine
PubChem CID134254931
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(E)-2-ethenyl-N-methyl-N-propan-2-ylpent-2-en-4-yn-1-amine
SMILESC#C/C=C(\C=C)CN(C)C(C)C
InChIInChI=1S/C11H17N/c1-6-8-11(7-2)9-12(5)10(3)4/h1,7-8,10H,2,9H2,3-5H3/b11-8+
InChIKeyQJAVSDIGLYDMQK-DHZHZOJOSA-N
XLogP2.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-ethenyl-N-methyl-N-propan-2-ylpent-2-en-4-yn-1-amine?
The IUPAC name of (E)-2-ethenyl-N-methyl-N-propan-2-ylpent-2-en-4-yn-1-amine (CID 134254931) is (E)-2-ethenyl-N-methyl-N-propan-2-ylpent-2-en-4-yn-1-amine.
What is the SMILES notation for (E)-2-ethenyl-N-methyl-N-propan-2-ylpent-2-en-4-yn-1-amine?
The canonical SMILES for (E)-2-ethenyl-N-methyl-N-propan-2-ylpent-2-en-4-yn-1-amine is C#C/C=C(\C=C)CN(C)C(C)C.
What is the InChIKey of (E)-2-ethenyl-N-methyl-N-propan-2-ylpent-2-en-4-yn-1-amine?
The InChIKey is QJAVSDIGLYDMQK-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H17N/c1-6-8-11(7-2)9-12(5)10(3)4/h1,7-8,10H,2,9H2,3-5H3/b11-8+.
What are the key properties of (E)-2-ethenyl-N-methyl-N-propan-2-ylpent-2-en-4-yn-1-amine?
(E)-2-ethenyl-N-methyl-N-propan-2-ylpent-2-en-4-yn-1-amine has a molecular weight of 163.26 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethenyl-N-methyl-N-propan-2-ylpent-2-en-4-yn-1-amine is sourced from PubChem (CID 134254931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).