1-N,1-N'-dibenzyloct-1-ene-1,1-diamine

C22H30N2 — CID 139931030

IUPAC1-N,1-N'-dibenzyloct-1-ene-1,1-diamine
SMILESCCCCCCC=C(NCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C22H30N2/c1-2-3-4-5-12-17-22(23-18-20-13-8-6-9-14-20)24-19-21-15-10-7-11-16-21/h6-11,13-17,23-24H,2-5,12,18-19H2,1H3
InChIKeyZPMXQCKIDDEITR-UHFFFAOYSA-N
MW322.50 g/mol
LogP5.38
Rot. Bonds11

About 1-N,1-N'-dibenzyloct-1-ene-1,1-diamine

1-N,1-N'-dibenzyloct-1-ene-1,1-diamine (PubChem CID 139931030) has the molecular formula C22H30N2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 1-N,1-N'-dibenzyloct-1-ene-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-dibenzyloct-1-ene-1,1-diamine
PubChem CID139931030
Molecular FormulaC22H30N2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC Name1-N,1-N'-dibenzyloct-1-ene-1,1-diamine
SMILESCCCCCCC=C(NCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C22H30N2/c1-2-3-4-5-12-17-22(23-18-20-13-8-6-9-14-20)24-19-21-15-10-7-11-16-21/h6-11,13-17,23-24H,2-5,12,18-19H2,1H3
InChIKeyZPMXQCKIDDEITR-UHFFFAOYSA-N
XLogP5.38
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.50
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(E)-N-benzyloct-3-enamide
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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-dibenzyloct-1-ene-1,1-diamine?
The IUPAC name of 1-N,1-N'-dibenzyloct-1-ene-1,1-diamine (CID 139931030) is 1-N,1-N'-dibenzyloct-1-ene-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-dibenzyloct-1-ene-1,1-diamine?
The canonical SMILES for 1-N,1-N'-dibenzyloct-1-ene-1,1-diamine is CCCCCCC=C(NCc1ccccc1)NCc1ccccc1.
What is the InChIKey of 1-N,1-N'-dibenzyloct-1-ene-1,1-diamine?
The InChIKey is ZPMXQCKIDDEITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2/c1-2-3-4-5-12-17-22(23-18-20-13-8-6-9-14-20)24-19-21-15-10-7-11-16-21/h6-11,13-17,23-24H,2-5,12,18-19H2,1H3.
What are the key properties of 1-N,1-N'-dibenzyloct-1-ene-1,1-diamine?
1-N,1-N'-dibenzyloct-1-ene-1,1-diamine has a molecular weight of 322.50 g/mol, XLogP of 5.38, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-dibenzyloct-1-ene-1,1-diamine is sourced from PubChem (CID 139931030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).