(11Z,14Z)-icosa-11,14-dien-2-imine

C20H37N — CID 89077215

IUPAC(11Z,14Z)-icosa-11,14-dien-2-imine
SMILES[H]/N=C(\C)CCCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C20H37N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)21/h7-8,10-11,21H,3-6,9,12-19H2,1-2H3/b8-7-,11-10-,21-20+
InChIKeyWLQXAWDECZWHPX-QXWMEOLXSA-N
MW291.52 g/mol
LogP7.23
Rot. Bonds15

About (11Z,14Z)-icosa-11,14-dien-2-imine

(11Z,14Z)-icosa-11,14-dien-2-imine (PubChem CID 89077215) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is (11Z,14Z)-icosa-11,14-dien-2-imine.

Molecular Properties

Compound Name(11Z,14Z)-icosa-11,14-dien-2-imine
PubChem CID89077215
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC Name(11Z,14Z)-icosa-11,14-dien-2-imine
SMILES[H]/N=C(\C)CCCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C20H37N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)21/h7-8,10-11,21H,3-6,9,12-19H2,1-2H3/b8-7-,11-10-,21-20+
InChIKeyWLQXAWDECZWHPX-QXWMEOLXSA-N
XLogP7.23
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 57.23
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (11Z,14Z)-icosa-11,14-dien-2-imine?
The IUPAC name of (11Z,14Z)-icosa-11,14-dien-2-imine (CID 89077215) is (11Z,14Z)-icosa-11,14-dien-2-imine.
What is the SMILES notation for (11Z,14Z)-icosa-11,14-dien-2-imine?
The canonical SMILES for (11Z,14Z)-icosa-11,14-dien-2-imine is [H]/N=C(\C)CCCCCCCC/C=C\C/C=C\CCCCC.
What is the InChIKey of (11Z,14Z)-icosa-11,14-dien-2-imine?
The InChIKey is WLQXAWDECZWHPX-QXWMEOLXSA-N. The full InChI is InChI=1S/C20H37N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)21/h7-8,10-11,21H,3-6,9,12-19H2,1-2H3/b8-7-,11-10-,21-20+.
What are the key properties of (11Z,14Z)-icosa-11,14-dien-2-imine?
(11Z,14Z)-icosa-11,14-dien-2-imine has a molecular weight of 291.52 g/mol, XLogP of 7.23, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z,14Z)-icosa-11,14-dien-2-imine is sourced from PubChem (CID 89077215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).