(Z)-2-ethyl-N-[(E)-hex-2-en-2-yl]but-2-en-1-imine

C12H21N — CID 122651509

IUPAC(Z)-2-ethyl-N-[(E)-hex-2-en-2-yl]but-2-en-1-imine
SMILESC/C=C(\C=N\C(C)=C\CCC)CC
InChIInChI=1S/C12H21N/c1-5-8-9-11(4)13-10-12(6-2)7-3/h6,9-10H,5,7-8H2,1-4H3/b11-9+,12-6-,13-10+
InChIKeyUQVYTEPBZALFNQ-VVWAAQSCSA-N
MW179.31 g/mol
LogP4.12
Rot. Bonds5

About (Z)-2-ethyl-N-[(E)-hex-2-en-2-yl]but-2-en-1-imine

(Z)-2-ethyl-N-[(E)-hex-2-en-2-yl]but-2-en-1-imine (PubChem CID 122651509) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (Z)-2-ethyl-N-[(E)-hex-2-en-2-yl]but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2-ethyl-N-[(E)-hex-2-en-2-yl]but-2-en-1-imine
PubChem CID122651509
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(Z)-2-ethyl-N-[(E)-hex-2-en-2-yl]but-2-en-1-imine
SMILESC/C=C(\C=N\C(C)=C\CCC)CC
InChIInChI=1S/C12H21N/c1-5-8-9-11(4)13-10-12(6-2)7-3/h6,9-10H,5,7-8H2,1-4H3/b11-9+,12-6-,13-10+
InChIKeyUQVYTEPBZALFNQ-VVWAAQSCSA-N
XLogP4.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethyl-N-[(E)-hex-2-en-2-yl]but-2-en-1-imine?
The IUPAC name of (Z)-2-ethyl-N-[(E)-hex-2-en-2-yl]but-2-en-1-imine (CID 122651509) is (Z)-2-ethyl-N-[(E)-hex-2-en-2-yl]but-2-en-1-imine.
What is the SMILES notation for (Z)-2-ethyl-N-[(E)-hex-2-en-2-yl]but-2-en-1-imine?
The canonical SMILES for (Z)-2-ethyl-N-[(E)-hex-2-en-2-yl]but-2-en-1-imine is C/C=C(\C=N\C(C)=C\CCC)CC.
What is the InChIKey of (Z)-2-ethyl-N-[(E)-hex-2-en-2-yl]but-2-en-1-imine?
The InChIKey is UQVYTEPBZALFNQ-VVWAAQSCSA-N. The full InChI is InChI=1S/C12H21N/c1-5-8-9-11(4)13-10-12(6-2)7-3/h6,9-10H,5,7-8H2,1-4H3/b11-9+,12-6-,13-10+.
What are the key properties of (Z)-2-ethyl-N-[(E)-hex-2-en-2-yl]but-2-en-1-imine?
(Z)-2-ethyl-N-[(E)-hex-2-en-2-yl]but-2-en-1-imine has a molecular weight of 179.31 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethyl-N-[(E)-hex-2-en-2-yl]but-2-en-1-imine is sourced from PubChem (CID 122651509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).