(E)-N-(2-ethylbut-2-enyl)but-2-en-1-imine

C10H17N — CID 91268143

IUPAC(E)-N-(2-ethylbut-2-enyl)but-2-en-1-imine
SMILESCC=C(CC)C/N=C/C=C/C
InChIInChI=1S/C10H17N/c1-4-7-8-11-9-10(5-2)6-3/h4-5,7-8H,6,9H2,1-3H3/b7-4+,10-5?,11-8+
InChIKeyDTAANBFXTSPXJV-YRWBVPOQSA-N
MW151.25 g/mol
LogP2.99
Rot. Bonds4

About (E)-N-(2-ethylbut-2-enyl)but-2-en-1-imine

(E)-N-(2-ethylbut-2-enyl)but-2-en-1-imine (PubChem CID 91268143) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (E)-N-(2-ethylbut-2-enyl)but-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-(2-ethylbut-2-enyl)but-2-en-1-imine
PubChem CID91268143
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(E)-N-(2-ethylbut-2-enyl)but-2-en-1-imine
SMILESCC=C(CC)C/N=C/C=C/C
InChIInChI=1S/C10H17N/c1-4-7-8-11-9-10(5-2)6-3/h4-5,7-8H,6,9H2,1-3H3/b7-4+,10-5?,11-8+
InChIKeyDTAANBFXTSPXJV-YRWBVPOQSA-N
XLogP2.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-ethylbut-2-enyl)but-2-en-1-imine?
The IUPAC name of (E)-N-(2-ethylbut-2-enyl)but-2-en-1-imine (CID 91268143) is (E)-N-(2-ethylbut-2-enyl)but-2-en-1-imine.
What is the SMILES notation for (E)-N-(2-ethylbut-2-enyl)but-2-en-1-imine?
The canonical SMILES for (E)-N-(2-ethylbut-2-enyl)but-2-en-1-imine is CC=C(CC)C/N=C/C=C/C.
What is the InChIKey of (E)-N-(2-ethylbut-2-enyl)but-2-en-1-imine?
The InChIKey is DTAANBFXTSPXJV-YRWBVPOQSA-N. The full InChI is InChI=1S/C10H17N/c1-4-7-8-11-9-10(5-2)6-3/h4-5,7-8H,6,9H2,1-3H3/b7-4+,10-5?,11-8+.
What are the key properties of (E)-N-(2-ethylbut-2-enyl)but-2-en-1-imine?
(E)-N-(2-ethylbut-2-enyl)but-2-en-1-imine has a molecular weight of 151.25 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-ethylbut-2-enyl)but-2-en-1-imine is sourced from PubChem (CID 91268143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).