2-octadecyliminoethanamine

C20H42N2 — CID 57322376

IUPAC2-octadecyliminoethanamine
SMILESCCCCCCCCCCCCCCCCCC/N=C/CN
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/h20H,2-19,21H2,1H3/b22-20+
InChIKeyFOUPZQFUNBTPLQ-LSDHQDQOSA-N
MW310.57 g/mol
LogP6.28
Rot. Bonds18

About 2-octadecyliminoethanamine

2-octadecyliminoethanamine (PubChem CID 57322376) has the molecular formula C20H42N2 and a molecular weight of 310.57 g/mol. Its IUPAC name is 2-octadecyliminoethanamine.

Molecular Properties

Compound Name2-octadecyliminoethanamine
PubChem CID57322376
Molecular FormulaC20H42N2
Molecular Weight310.57 g/mol
Exact Mass310.33
IUPAC Name2-octadecyliminoethanamine
SMILESCCCCCCCCCCCCCCCCCC/N=C/CN
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/h20H,2-19,21H2,1H3/b22-20+
InChIKeyFOUPZQFUNBTPLQ-LSDHQDQOSA-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

1,6-Hexanediamine, N1-butylidene-
CID 116610
N,N'-dioctylethane-1,2-diimine
CID 20621539
3-(Docosylideneamino)propan-1-amine
CID 53721281
N-[8-(butylideneamino)octyl]butan-1-imine
CID 53752367
6-(Hexylideneamino)hexan-1-amine
CID 53961354
3-(Octadecylideneamino)propan-1-amine
CID 54408270
N-(3-iminopropyl)tetradecan-1-amine
CID 57007128
N-(3-iminopropyl)octadecan-1-amine
CID 57073592
6-Hexyliminohexan-1-amine
CID 57077216
N-(3-iminopropyl)hexadecan-1-amine
CID 57171884
3-Hexyliminopropan-1-amine
CID 57232081
2-Hexyliminoethanamine
CID 57235136

Frequently Asked Questions

What is the IUPAC name of 2-octadecyliminoethanamine?
The IUPAC name of 2-octadecyliminoethanamine (CID 57322376) is 2-octadecyliminoethanamine.
What is the SMILES notation for 2-octadecyliminoethanamine?
The canonical SMILES for 2-octadecyliminoethanamine is CCCCCCCCCCCCCCCCCC/N=C/CN.
What is the InChIKey of 2-octadecyliminoethanamine?
The InChIKey is FOUPZQFUNBTPLQ-LSDHQDQOSA-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/h20H,2-19,21H2,1H3/b22-20+.
What are the key properties of 2-octadecyliminoethanamine?
2-octadecyliminoethanamine 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-octadecyliminoethanamine is sourced from PubChem (CID 57322376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).