N'-[(E)-octadec-9-enyl]ethane-1,2-diamine

C20H42N2 — CID 19433731

IUPACN'-[(E)-octadec-9-enyl]ethane-1,2-diamine
SMILESCCCCCCCC/C=C/CCCCCCCCNCCN
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/h9-10,22H,2-8,11-21H2,1H3/b10-9+
InChIKeyDDQBWEOPDZBVJW-MDZDMXLPSA-N
MW310.57 g/mol
LogP5.57
Rot. Bonds18

About N'-[(E)-octadec-9-enyl]ethane-1,2-diamine

N'-[(E)-octadec-9-enyl]ethane-1,2-diamine (PubChem CID 19433731) has the molecular formula C20H42N2 and a molecular weight of 310.57 g/mol. Its IUPAC name is N'-[(E)-octadec-9-enyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(E)-octadec-9-enyl]ethane-1,2-diamine
PubChem CID19433731
Molecular FormulaC20H42N2
Molecular Weight310.57 g/mol
Exact Mass310.33
IUPAC NameN'-[(E)-octadec-9-enyl]ethane-1,2-diamine
SMILESCCCCCCCC/C=C/CCCCCCCCNCCN
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/h9-10,22H,2-8,11-21H2,1H3/b10-9+
InChIKeyDDQBWEOPDZBVJW-MDZDMXLPSA-N
XLogP5.57
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 ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-octadec-9-enyl]ethane-1,2-diamine?
The IUPAC name of N'-[(E)-octadec-9-enyl]ethane-1,2-diamine (CID 19433731) is N'-[(E)-octadec-9-enyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(E)-octadec-9-enyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(E)-octadec-9-enyl]ethane-1,2-diamine is CCCCCCCC/C=C/CCCCCCCCNCCN.
What is the InChIKey of N'-[(E)-octadec-9-enyl]ethane-1,2-diamine?
The InChIKey is DDQBWEOPDZBVJW-MDZDMXLPSA-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/h9-10,22H,2-8,11-21H2,1H3/b10-9+.
What are the key properties of N'-[(E)-octadec-9-enyl]ethane-1,2-diamine?
N'-[(E)-octadec-9-enyl]ethane-1,2-diamine has a molecular weight of 310.57 g/mol, XLogP of 5.57, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-octadec-9-enyl]ethane-1,2-diamine is sourced from PubChem (CID 19433731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).