(Z)-3-[(Z)-but-1-enyl]undec-2-en-1-imine

C15H27N — CID 129147773

IUPAC(Z)-3-[(Z)-but-1-enyl]undec-2-en-1-imine
SMILES[H]/N=C/C=C(\C=C/CC)CCCCCCCC
InChIInChI=1S/C15H27N/c1-3-5-7-8-9-10-12-15(13-14-16)11-6-4-2/h6,11,13-14,16H,3-5,7-10,12H2,1-2H3/b11-6-,15-13+,16-14+
InChIKeyUXDBGVVTHPYKJG-LYLRWTLJSA-N
MW221.39 g/mol
LogP5.28
Rot. Bonds10

About (Z)-3-[(Z)-but-1-enyl]undec-2-en-1-imine

(Z)-3-[(Z)-but-1-enyl]undec-2-en-1-imine (PubChem CID 129147773) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is (Z)-3-[(Z)-but-1-enyl]undec-2-en-1-imine.

Molecular Properties

Compound Name(Z)-3-[(Z)-but-1-enyl]undec-2-en-1-imine
PubChem CID129147773
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name(Z)-3-[(Z)-but-1-enyl]undec-2-en-1-imine
SMILES[H]/N=C/C=C(\C=C/CC)CCCCCCCC
InChIInChI=1S/C15H27N/c1-3-5-7-8-9-10-12-15(13-14-16)11-6-4-2/h6,11,13-14,16H,3-5,7-10,12H2,1-2H3/b11-6-,15-13+,16-14+
InChIKeyUXDBGVVTHPYKJG-LYLRWTLJSA-N
XLogP5.28
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500221.39
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(Z)-but-1-enyl]undec-2-en-1-imine?
The IUPAC name of (Z)-3-[(Z)-but-1-enyl]undec-2-en-1-imine (CID 129147773) is (Z)-3-[(Z)-but-1-enyl]undec-2-en-1-imine.
What is the SMILES notation for (Z)-3-[(Z)-but-1-enyl]undec-2-en-1-imine?
The canonical SMILES for (Z)-3-[(Z)-but-1-enyl]undec-2-en-1-imine is [H]/N=C/C=C(\C=C/CC)CCCCCCCC.
What is the InChIKey of (Z)-3-[(Z)-but-1-enyl]undec-2-en-1-imine?
The InChIKey is UXDBGVVTHPYKJG-LYLRWTLJSA-N. The full InChI is InChI=1S/C15H27N/c1-3-5-7-8-9-10-12-15(13-14-16)11-6-4-2/h6,11,13-14,16H,3-5,7-10,12H2,1-2H3/b11-6-,15-13+,16-14+.
What are the key properties of (Z)-3-[(Z)-but-1-enyl]undec-2-en-1-imine?
(Z)-3-[(Z)-but-1-enyl]undec-2-en-1-imine has a molecular weight of 221.39 g/mol, XLogP of 5.28, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(Z)-but-1-enyl]undec-2-en-1-imine is sourced from PubChem (CID 129147773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).