(E)-N-butyl-2-ethylbut-2-en-1-imine

C10H19N — CID 101138991

IUPAC(E)-N-butyl-2-ethylbut-2-en-1-imine
SMILESC/C=C(/C=N/CCCC)CC
InChIInChI=1S/C10H19N/c1-4-7-8-11-9-10(5-2)6-3/h5,9H,4,6-8H2,1-3H3/b10-5+,11-9+
InChIKeyWMZVEEQQPMXVJP-WTIVLTGYSA-N
MW153.27 g/mol
LogP3.21
Rot. Bonds5

About (E)-N-butyl-2-ethylbut-2-en-1-imine

(E)-N-butyl-2-ethylbut-2-en-1-imine (PubChem CID 101138991) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (E)-N-butyl-2-ethylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-butyl-2-ethylbut-2-en-1-imine
PubChem CID101138991
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(E)-N-butyl-2-ethylbut-2-en-1-imine
SMILESC/C=C(/C=N/CCCC)CC
InChIInChI=1S/C10H19N/c1-4-7-8-11-9-10(5-2)6-3/h5,9H,4,6-8H2,1-3H3/b10-5+,11-9+
InChIKeyWMZVEEQQPMXVJP-WTIVLTGYSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-butyl-2-ethylbut-2-en-1-imine?
The IUPAC name of (E)-N-butyl-2-ethylbut-2-en-1-imine (CID 101138991) is (E)-N-butyl-2-ethylbut-2-en-1-imine.
What is the SMILES notation for (E)-N-butyl-2-ethylbut-2-en-1-imine?
The canonical SMILES for (E)-N-butyl-2-ethylbut-2-en-1-imine is C/C=C(/C=N/CCCC)CC.
What is the InChIKey of (E)-N-butyl-2-ethylbut-2-en-1-imine?
The InChIKey is WMZVEEQQPMXVJP-WTIVLTGYSA-N. The full InChI is InChI=1S/C10H19N/c1-4-7-8-11-9-10(5-2)6-3/h5,9H,4,6-8H2,1-3H3/b10-5+,11-9+.
What are the key properties of (E)-N-butyl-2-ethylbut-2-en-1-imine?
(E)-N-butyl-2-ethylbut-2-en-1-imine has a molecular weight of 153.27 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-butyl-2-ethylbut-2-en-1-imine is sourced from PubChem (CID 101138991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).