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

C10H17N — CID 134394969

IUPAC(E)-N,N,4-trimethylhept-4-en-2-yn-1-amine
SMILESCC/C=C(\C)C#CCN(C)C
InChIInChI=1S/C10H17N/c1-5-7-10(2)8-6-9-11(3)4/h7H,5,9H2,1-4H3/b10-7+
InChIKeyQVHYHQOMDOSZLQ-JXMROGBWSA-N
MW151.25 g/mol
LogP1.91
Rot. Bonds2

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

(E)-N,N,4-trimethylhept-4-en-2-yn-1-amine (PubChem CID 134394969) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (E)-N,N,4-trimethylhept-4-en-2-yn-1-amine.

Molecular Properties

Compound Name(E)-N,N,4-trimethylhept-4-en-2-yn-1-amine
PubChem CID134394969
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(E)-N,N,4-trimethylhept-4-en-2-yn-1-amine
SMILESCC/C=C(\C)C#CCN(C)C
InChIInChI=1S/C10H17N/c1-5-7-10(2)8-6-9-11(3)4/h7H,5,9H2,1-4H3/b10-7+
InChIKeyQVHYHQOMDOSZLQ-JXMROGBWSA-N
XLogP1.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.91
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,N,4-trimethylhept-4-en-2-yn-1-amine?
The IUPAC name of (E)-N,N,4-trimethylhept-4-en-2-yn-1-amine (CID 134394969) is (E)-N,N,4-trimethylhept-4-en-2-yn-1-amine.
What is the SMILES notation for (E)-N,N,4-trimethylhept-4-en-2-yn-1-amine?
The canonical SMILES for (E)-N,N,4-trimethylhept-4-en-2-yn-1-amine is CC/C=C(\C)C#CCN(C)C.
What is the InChIKey of (E)-N,N,4-trimethylhept-4-en-2-yn-1-amine?
The InChIKey is QVHYHQOMDOSZLQ-JXMROGBWSA-N. The full InChI is InChI=1S/C10H17N/c1-5-7-10(2)8-6-9-11(3)4/h7H,5,9H2,1-4H3/b10-7+.
What are the key properties of (E)-N,N,4-trimethylhept-4-en-2-yn-1-amine?
(E)-N,N,4-trimethylhept-4-en-2-yn-1-amine has a molecular weight of 151.25 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N,4-trimethylhept-4-en-2-yn-1-amine is sourced from PubChem (CID 134394969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).