(Z,2S)-3-ethenylidene-5-ethoxyhept-5-en-2-amine

C11H19NO — CID 89260329

IUPAC(Z,2S)-3-ethenylidene-5-ethoxyhept-5-en-2-amine
SMILESC=C=C(C/C(=C/C)OCC)[C@H](C)N
InChIInChI=1S/C11H19NO/c1-5-10(9(4)12)8-11(6-2)13-7-3/h6,9H,1,7-8,12H2,2-4H3/b11-6-/t9-/m0/s1
InChIKeyCEWZDEFELWGMJJ-ISAHRAOESA-N
MW181.28 g/mol
LogP2.38
Rot. Bonds5

About (Z,2S)-3-ethenylidene-5-ethoxyhept-5-en-2-amine

(Z,2S)-3-ethenylidene-5-ethoxyhept-5-en-2-amine (PubChem CID 89260329) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (Z,2S)-3-ethenylidene-5-ethoxyhept-5-en-2-amine.

Molecular Properties

Compound Name(Z,2S)-3-ethenylidene-5-ethoxyhept-5-en-2-amine
PubChem CID89260329
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(Z,2S)-3-ethenylidene-5-ethoxyhept-5-en-2-amine
SMILESC=C=C(C/C(=C/C)OCC)[C@H](C)N
InChIInChI=1S/C11H19NO/c1-5-10(9(4)12)8-11(6-2)13-7-3/h6,9H,1,7-8,12H2,2-4H3/b11-6-/t9-/m0/s1
InChIKeyCEWZDEFELWGMJJ-ISAHRAOESA-N
XLogP2.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,2S)-3-ethenylidene-5-ethoxyhept-5-en-2-amine?
The IUPAC name of (Z,2S)-3-ethenylidene-5-ethoxyhept-5-en-2-amine (CID 89260329) is (Z,2S)-3-ethenylidene-5-ethoxyhept-5-en-2-amine.
What is the SMILES notation for (Z,2S)-3-ethenylidene-5-ethoxyhept-5-en-2-amine?
The canonical SMILES for (Z,2S)-3-ethenylidene-5-ethoxyhept-5-en-2-amine is C=C=C(C/C(=C/C)OCC)[C@H](C)N.
What is the InChIKey of (Z,2S)-3-ethenylidene-5-ethoxyhept-5-en-2-amine?
The InChIKey is CEWZDEFELWGMJJ-ISAHRAOESA-N. The full InChI is InChI=1S/C11H19NO/c1-5-10(9(4)12)8-11(6-2)13-7-3/h6,9H,1,7-8,12H2,2-4H3/b11-6-/t9-/m0/s1.
What are the key properties of (Z,2S)-3-ethenylidene-5-ethoxyhept-5-en-2-amine?
(Z,2S)-3-ethenylidene-5-ethoxyhept-5-en-2-amine has a molecular weight of 181.28 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S)-3-ethenylidene-5-ethoxyhept-5-en-2-amine is sourced from PubChem (CID 89260329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).