2-(octadecylideneamino)ethanamine

C20H42N2 — CID 57311237

IUPAC2-(octadecylideneamino)ethanamine
SMILESCCCCCCCCCCCCCCCCC/C=N/CCN
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/h19H,2-18,20-21H2,1H3/b22-19+
InChIKeyBMRGVURQCFWILT-ZBJSNUHESA-N
MW310.57 g/mol
LogP6.28
Rot. Bonds18

About 2-(octadecylideneamino)ethanamine

2-(octadecylideneamino)ethanamine (PubChem CID 57311237) has the molecular formula C20H42N2 and a molecular weight of 310.57 g/mol. Its IUPAC name is 2-(octadecylideneamino)ethanamine.

Molecular Properties

Compound Name2-(octadecylideneamino)ethanamine
PubChem CID57311237
Molecular FormulaC20H42N2
Molecular Weight310.57 g/mol
Exact Mass310.33
IUPAC Name2-(octadecylideneamino)ethanamine
SMILESCCCCCCCCCCCCCCCCC/C=N/CCN
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/h19H,2-18,20-21H2,1H3/b22-19+
InChIKeyBMRGVURQCFWILT-ZBJSNUHESA-N
XLogP6.28
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.57
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(hexylideneamino)-N-[2-(hexylideneamino)ethyl]ethanamine
CID 18520349
N-[2-(nonylideneamino)ethyl]nonan-1-imine
CID 20621534
3-(Docosylideneamino)propan-1-amine
CID 53721281
N'-[2-(octadecylideneamino)ethyl]ethane-1,2-diamine
CID 54218215
3-(Octadecylideneamino)propan-1-amine
CID 54408270
N'-[3-(octadecylideneamino)propyl]propane-1,3-diamine
CID 57277505
2-Octadecyliminoethanamine
CID 57322376
6-[3-(7-Aminononan-3-ylimino)propylideneamino]nonan-2-amine
CID 59828268
3-Octadecyliminopropan-1-amine
CID 88695161
4-Octadecyliminobutan-1-amine
CID 88695609
2-(Dodecylideneamino)ethanamine
CID 88846846
2-(Octylideneamino)ethanamine
CID 90701559

Frequently Asked Questions

What is the IUPAC name of 2-(octadecylideneamino)ethanamine?
The IUPAC name of 2-(octadecylideneamino)ethanamine (CID 57311237) is 2-(octadecylideneamino)ethanamine.
What is the SMILES notation for 2-(octadecylideneamino)ethanamine?
The canonical SMILES for 2-(octadecylideneamino)ethanamine is CCCCCCCCCCCCCCCCC/C=N/CCN.
What is the InChIKey of 2-(octadecylideneamino)ethanamine?
The InChIKey is BMRGVURQCFWILT-ZBJSNUHESA-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/h19H,2-18,20-21H2,1H3/b22-19+.
What are the key properties of 2-(octadecylideneamino)ethanamine?
2-(octadecylideneamino)ethanamine has a molecular weight of 310.57 g/mol, XLogP of 6.28, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(octadecylideneamino)ethanamine is sourced from PubChem (CID 57311237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).