(E)-N,3-bis(ethenyl)-4-pentyldec-2-en-1-imine

C19H33N — CID 126626559

IUPAC(E)-N,3-bis(ethenyl)-4-pentyldec-2-en-1-imine
SMILESC=C/N=C/C=C(\C=C)C(CCCCC)CCCCCC
InChIInChI=1S/C19H33N/c1-5-9-11-13-15-19(14-12-10-6-2)18(7-3)16-17-20-8-4/h7-8,16-17,19H,3-6,9-15H2,1-2H3/b18-16+,20-17+
InChIKeyRVEAOHNOPOUKJL-JEEWHQRCSA-N
MW275.48 g/mol
LogP6.48
Rot. Bonds13

About (E)-N,3-bis(ethenyl)-4-pentyldec-2-en-1-imine

(E)-N,3-bis(ethenyl)-4-pentyldec-2-en-1-imine (PubChem CID 126626559) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is (E)-N,3-bis(ethenyl)-4-pentyldec-2-en-1-imine.

Molecular Properties

Compound Name(E)-N,3-bis(ethenyl)-4-pentyldec-2-en-1-imine
PubChem CID126626559
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name(E)-N,3-bis(ethenyl)-4-pentyldec-2-en-1-imine
SMILESC=C/N=C/C=C(\C=C)C(CCCCC)CCCCCC
InChIInChI=1S/C19H33N/c1-5-9-11-13-15-19(14-12-10-6-2)18(7-3)16-17-20-8-4/h7-8,16-17,19H,3-6,9-15H2,1-2H3/b18-16+,20-17+
InChIKeyRVEAOHNOPOUKJL-JEEWHQRCSA-N
XLogP6.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 56.48
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Retinyl-BA
CID 6443214
N-[(E)-2-[6-(4-cyclohexylpent-4-en-2-yl)-5-fluorocyclohexa-2,4-dien-1-yl]prop-1-enyl]ethanimine
CID 135228890
(2E,4E,6E,8E)-N-butyl-3-tert-butyl-7-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 14078328
(2Z,4E)-3-methyl-N-propyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dien-1-imine
CID 101718035
(2E,4E,6E,8E)-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 20839126
(2E,4E,6E,8E)-3,7-dimethyl-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 21722405
N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 54548247
(2Z,4E,6E,8E)-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 57703444
(2E,4Z,6E,8E)-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 59381630
[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]-[(1Z,4E,6E,8E)-7-methyl-3-methylidene-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraenyl]-propylazanium
CID 59381638
6-(2-Propylpent-4-enyl)cyclopenta[c]pyrrole
CID 70163687
7-Methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(14),8,10,12-tetraene
CID 70374207

Frequently Asked Questions

What is the IUPAC name of (E)-N,3-bis(ethenyl)-4-pentyldec-2-en-1-imine?
The IUPAC name of (E)-N,3-bis(ethenyl)-4-pentyldec-2-en-1-imine (CID 126626559) is (E)-N,3-bis(ethenyl)-4-pentyldec-2-en-1-imine.
What is the SMILES notation for (E)-N,3-bis(ethenyl)-4-pentyldec-2-en-1-imine?
The canonical SMILES for (E)-N,3-bis(ethenyl)-4-pentyldec-2-en-1-imine is C=C/N=C/C=C(\C=C)C(CCCCC)CCCCCC.
What is the InChIKey of (E)-N,3-bis(ethenyl)-4-pentyldec-2-en-1-imine?
The InChIKey is RVEAOHNOPOUKJL-JEEWHQRCSA-N. The full InChI is InChI=1S/C19H33N/c1-5-9-11-13-15-19(14-12-10-6-2)18(7-3)16-17-20-8-4/h7-8,16-17,19H,3-6,9-15H2,1-2H3/b18-16+,20-17+.
What are the key properties of (E)-N,3-bis(ethenyl)-4-pentyldec-2-en-1-imine?
(E)-N,3-bis(ethenyl)-4-pentyldec-2-en-1-imine has a molecular weight of 275.48 g/mol, XLogP of 6.48, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,3-bis(ethenyl)-4-pentyldec-2-en-1-imine is sourced from PubChem (CID 126626559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).