(Z)-2-(ethylamino)oct-2-enal

C10H19NO — CID 89127720

IUPAC(Z)-2-(ethylamino)oct-2-enal
SMILESCCCCC/C=C(/C=O)NCC
InChIInChI=1S/C10H19NO/c1-3-5-6-7-8-10(9-12)11-4-2/h8-9,11H,3-7H2,1-2H3/b10-8-
InChIKeyVRXUSSVDUQEFFQ-NTMALXAHSA-N
MW169.27 g/mol
LogP2.26
Rot. Bonds7

About (Z)-2-(ethylamino)oct-2-enal

(Z)-2-(ethylamino)oct-2-enal (PubChem CID 89127720) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (Z)-2-(ethylamino)oct-2-enal.

Molecular Properties

Compound Name(Z)-2-(ethylamino)oct-2-enal
PubChem CID89127720
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(Z)-2-(ethylamino)oct-2-enal
SMILESCCCCC/C=C(/C=O)NCC
InChIInChI=1S/C10H19NO/c1-3-5-6-7-8-10(9-12)11-4-2/h8-9,11H,3-7H2,1-2H3/b10-8-
InChIKeyVRXUSSVDUQEFFQ-NTMALXAHSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(ethylamino)oct-2-enal?
The IUPAC name of (Z)-2-(ethylamino)oct-2-enal (CID 89127720) is (Z)-2-(ethylamino)oct-2-enal.
What is the SMILES notation for (Z)-2-(ethylamino)oct-2-enal?
The canonical SMILES for (Z)-2-(ethylamino)oct-2-enal is CCCCC/C=C(/C=O)NCC.
What is the InChIKey of (Z)-2-(ethylamino)oct-2-enal?
The InChIKey is VRXUSSVDUQEFFQ-NTMALXAHSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-5-6-7-8-10(9-12)11-4-2/h8-9,11H,3-7H2,1-2H3/b10-8-.
What are the key properties of (Z)-2-(ethylamino)oct-2-enal?
(Z)-2-(ethylamino)oct-2-enal has a molecular weight of 169.27 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(ethylamino)oct-2-enal is sourced from PubChem (CID 89127720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).