icosa-3,5-dien-1-imine

C20H37N — CID 91446903

IUPACicosa-3,5-dien-1-imine
SMILES[H]/N=C/CC=CC=CCCCCCCCCCCCCCC
InChIInChI=1S/C20H37N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h15-18,20-21H,2-14,19H2,1H3/b16-15?,18-17?,21-20+
InChIKeyKLOCMYNOJDJHJN-NBDMBINLSA-N
MW291.52 g/mol
LogP7.23
Rot. Bonds16

About icosa-3,5-dien-1-imine

icosa-3,5-dien-1-imine (PubChem CID 91446903) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is icosa-3,5-dien-1-imine.

Molecular Properties

Compound Nameicosa-3,5-dien-1-imine
PubChem CID91446903
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC Nameicosa-3,5-dien-1-imine
SMILES[H]/N=C/CC=CC=CCCCCCCCCCCCCCC
InChIInChI=1S/C20H37N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h15-18,20-21H,2-14,19H2,1H3/b16-15?,18-17?,21-20+
InChIKeyKLOCMYNOJDJHJN-NBDMBINLSA-N
XLogP7.23
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of icosa-3,5-dien-1-imine?
The IUPAC name of icosa-3,5-dien-1-imine (CID 91446903) is icosa-3,5-dien-1-imine.
What is the SMILES notation for icosa-3,5-dien-1-imine?
The canonical SMILES for icosa-3,5-dien-1-imine is [H]/N=C/CC=CC=CCCCCCCCCCCCCCC.
What is the InChIKey of icosa-3,5-dien-1-imine?
The InChIKey is KLOCMYNOJDJHJN-NBDMBINLSA-N. The full InChI is InChI=1S/C20H37N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h15-18,20-21H,2-14,19H2,1H3/b16-15?,18-17?,21-20+.
What are the key properties of icosa-3,5-dien-1-imine?
icosa-3,5-dien-1-imine has a molecular weight of 291.52 g/mol, XLogP of 7.23, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for icosa-3,5-dien-1-imine is sourced from PubChem (CID 91446903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).