3-(octadecylideneamino)propan-1-amine

C21H44N2 — CID 54408270

IUPAC3-(octadecylideneamino)propan-1-amine
SMILESCCCCCCCCCCCCCCCCC/C=N/CCCN
InChIInChI=1S/C21H44N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22/h20H,2-19,21-22H2,1H3/b23-20+
InChIKeyVSHIKPXXYCDMNS-BSYVCWPDSA-N
MW324.60 g/mol
LogP6.67
Rot. Bonds19

About 3-(octadecylideneamino)propan-1-amine

3-(octadecylideneamino)propan-1-amine (PubChem CID 54408270) has the molecular formula C21H44N2 and a molecular weight of 324.60 g/mol. Its IUPAC name is 3-(octadecylideneamino)propan-1-amine.

Molecular Properties

Compound Name3-(octadecylideneamino)propan-1-amine
PubChem CID54408270
Molecular FormulaC21H44N2
Molecular Weight324.60 g/mol
Exact Mass324.35
IUPAC Name3-(octadecylideneamino)propan-1-amine
SMILESCCCCCCCCCCCCCCCCC/C=N/CCCN
InChIInChI=1S/C21H44N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22/h20H,2-19,21-22H2,1H3/b23-20+
InChIKeyVSHIKPXXYCDMNS-BSYVCWPDSA-N
XLogP6.67
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.60
LogP ≤ 56.67
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

3-(Docosylideneamino)propan-1-amine
CID 53721281
N'-[2-(octadecylideneamino)ethyl]ethane-1,2-diamine
CID 54218215
N'-[3-(octadecylideneamino)propyl]propane-1,3-diamine
CID 57277505
2-(Octadecylideneamino)ethanamine
CID 57311237
2-Octadecyliminoethanamine
CID 57322376
6-[3-(7-Aminononan-3-ylimino)propylideneamino]nonan-2-amine
CID 59828268
3-(Pentylideneamino)propan-1-amine
CID 85779971
3-Octadecyliminopropan-1-amine
CID 88695161
4-Octadecyliminobutan-1-amine
CID 88695609
2-(Dodecylideneamino)ethanamine
CID 88846846
2-(Octylideneamino)ethanamine
CID 90701559
2-(Pentadecylideneamino)ethanamine
CID 90720868

Frequently Asked Questions

What is the IUPAC name of 3-(octadecylideneamino)propan-1-amine?
The IUPAC name of 3-(octadecylideneamino)propan-1-amine (CID 54408270) is 3-(octadecylideneamino)propan-1-amine.
What is the SMILES notation for 3-(octadecylideneamino)propan-1-amine?
The canonical SMILES for 3-(octadecylideneamino)propan-1-amine is CCCCCCCCCCCCCCCCC/C=N/CCCN.
What is the InChIKey of 3-(octadecylideneamino)propan-1-amine?
The InChIKey is VSHIKPXXYCDMNS-BSYVCWPDSA-N. The full InChI is InChI=1S/C21H44N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22/h20H,2-19,21-22H2,1H3/b23-20+.
What are the key properties of 3-(octadecylideneamino)propan-1-amine?
3-(octadecylideneamino)propan-1-amine has a molecular weight of 324.60 g/mol, XLogP of 6.67, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(octadecylideneamino)propan-1-amine is sourced from PubChem (CID 54408270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).