(E)-N'-octadecylethene-1,2-diamine

C20H42N2 — CID 19433736

IUPAC(E)-N'-octadecylethene-1,2-diamine
SMILESCCCCCCCCCCCCCCCCCCN/C=C/N
InChIInChI=1S/C20H42N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h18,20,22H,2-17,19,21H2,1H3/b20-18+
InChIKeyJXVUNINQLMTUEA-CZIZESTLSA-N
MW310.57 g/mol
LogP6.27
Rot. Bonds18

About (E)-N'-octadecylethene-1,2-diamine

(E)-N'-octadecylethene-1,2-diamine (PubChem CID 19433736) has the molecular formula C20H42N2 and a molecular weight of 310.57 g/mol. Its IUPAC name is (E)-N'-octadecylethene-1,2-diamine.

Molecular Properties

Compound Name(E)-N'-octadecylethene-1,2-diamine
PubChem CID19433736
Molecular FormulaC20H42N2
Molecular Weight310.57 g/mol
Exact Mass310.33
IUPAC Name(E)-N'-octadecylethene-1,2-diamine
SMILESCCCCCCCCCCCCCCCCCCN/C=C/N
InChIInChI=1S/C20H42N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h18,20,22H,2-17,19,21H2,1H3/b20-18+
InChIKeyJXVUNINQLMTUEA-CZIZESTLSA-N
XLogP6.27
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.57
LogP ≤ 56.27
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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Frequently Asked Questions

What is the IUPAC name of (E)-N'-octadecylethene-1,2-diamine?
The IUPAC name of (E)-N'-octadecylethene-1,2-diamine (CID 19433736) is (E)-N'-octadecylethene-1,2-diamine.
What is the SMILES notation for (E)-N'-octadecylethene-1,2-diamine?
The canonical SMILES for (E)-N'-octadecylethene-1,2-diamine is CCCCCCCCCCCCCCCCCCN/C=C/N.
What is the InChIKey of (E)-N'-octadecylethene-1,2-diamine?
The InChIKey is JXVUNINQLMTUEA-CZIZESTLSA-N. The full InChI is InChI=1S/C20H42N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h18,20,22H,2-17,19,21H2,1H3/b20-18+.
What are the key properties of (E)-N'-octadecylethene-1,2-diamine?
(E)-N'-octadecylethene-1,2-diamine has a molecular weight of 310.57 g/mol, XLogP of 6.27, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-octadecylethene-1,2-diamine is sourced from PubChem (CID 19433736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).