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

C16H27N — CID 146575815

IUPAC(E)-N,3-bis(ethenyl)-4-methyl-4-propyloct-2-en-1-imine
SMILESC=C/N=C/C=C(\C=C)C(C)(CCC)CCCC
InChIInChI=1S/C16H27N/c1-6-10-13-16(5,12-7-2)15(8-3)11-14-17-9-4/h8-9,11,14H,3-4,6-7,10,12-13H2,1-2,5H3/b15-11+,17-14+
InChIKeyLRFKHYRZOOHIDJ-WINJFPGJSA-N
MW233.40 g/mol
LogP5.31
Rot. Bonds9

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

(E)-N,3-bis(ethenyl)-4-methyl-4-propyloct-2-en-1-imine (PubChem CID 146575815) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is (E)-N,3-bis(ethenyl)-4-methyl-4-propyloct-2-en-1-imine.

Molecular Properties

Compound Name(E)-N,3-bis(ethenyl)-4-methyl-4-propyloct-2-en-1-imine
PubChem CID146575815
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name(E)-N,3-bis(ethenyl)-4-methyl-4-propyloct-2-en-1-imine
SMILESC=C/N=C/C=C(\C=C)C(C)(CCC)CCCC
InChIInChI=1S/C16H27N/c1-6-10-13-16(5,12-7-2)15(8-3)11-14-17-9-4/h8-9,11,14H,3-4,6-7,10,12-13H2,1-2,5H3/b15-11+,17-14+
InChIKeyLRFKHYRZOOHIDJ-WINJFPGJSA-N
XLogP5.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500233.40
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 (E)-N,3-bis(ethenyl)-4-methyl-4-propyloct-2-en-1-imine?
The IUPAC name of (E)-N,3-bis(ethenyl)-4-methyl-4-propyloct-2-en-1-imine (CID 146575815) is (E)-N,3-bis(ethenyl)-4-methyl-4-propyloct-2-en-1-imine.
What is the SMILES notation for (E)-N,3-bis(ethenyl)-4-methyl-4-propyloct-2-en-1-imine?
The canonical SMILES for (E)-N,3-bis(ethenyl)-4-methyl-4-propyloct-2-en-1-imine is C=C/N=C/C=C(\C=C)C(C)(CCC)CCCC.
What is the InChIKey of (E)-N,3-bis(ethenyl)-4-methyl-4-propyloct-2-en-1-imine?
The InChIKey is LRFKHYRZOOHIDJ-WINJFPGJSA-N. The full InChI is InChI=1S/C16H27N/c1-6-10-13-16(5,12-7-2)15(8-3)11-14-17-9-4/h8-9,11,14H,3-4,6-7,10,12-13H2,1-2,5H3/b15-11+,17-14+.
What are the key properties of (E)-N,3-bis(ethenyl)-4-methyl-4-propyloct-2-en-1-imine?
(E)-N,3-bis(ethenyl)-4-methyl-4-propyloct-2-en-1-imine has a molecular weight of 233.40 g/mol, XLogP of 5.31, 9 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-methyl-4-propyloct-2-en-1-imine is sourced from PubChem (CID 146575815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).