N'-[2-(octadecylideneamino)ethyl]ethane-1,2-diamine

C22H47N3 — CID 54218215

IUPACN'-[2-(octadecylideneamino)ethyl]ethane-1,2-diamine
SMILESCCCCCCCCCCCCCCCCC/C=N/CCNCCN
InChIInChI=1S/C22H47N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-21-22-25-20-18-23/h19,25H,2-18,20-23H2,1H3/b24-19+
InChIKeyQARKGUSNKMSFAK-LYBHJNIJSA-N
MW353.64 g/mol
LogP5.87
Rot. Bonds21

About N'-[2-(octadecylideneamino)ethyl]ethane-1,2-diamine

N'-[2-(octadecylideneamino)ethyl]ethane-1,2-diamine (PubChem CID 54218215) has the molecular formula C22H47N3 and a molecular weight of 353.64 g/mol. Its IUPAC name is N'-[2-(octadecylideneamino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(octadecylideneamino)ethyl]ethane-1,2-diamine
PubChem CID54218215
Molecular FormulaC22H47N3
Molecular Weight353.64 g/mol
Exact Mass353.38
IUPAC NameN'-[2-(octadecylideneamino)ethyl]ethane-1,2-diamine
SMILESCCCCCCCCCCCCCCCCC/C=N/CCNCCN
InChIInChI=1S/C22H47N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-21-22-25-20-18-23/h19,25H,2-18,20-23H2,1H3/b24-19+
InChIKeyQARKGUSNKMSFAK-LYBHJNIJSA-N
XLogP5.87
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.64
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
2-(propylideneamino)-N-[2-(propylideneamino)ethyl]ethanamine
CID 18520352
1-N-[1-(octylideneamino)propan-2-yl]propane-1,2-diamine
CID 53659464
3-(Docosylideneamino)propan-1-amine
CID 53721281
1-N-[1-[1-[1-(octylideneamino)propan-2-ylamino]propan-2-ylamino]propan-2-yl]propane-1,2-diamine
CID 53971312
3-(Octadecylideneamino)propan-1-amine
CID 54408270
N-(3-iminopropyl)tetradecan-1-amine
CID 57007128
N-(3-iminopropyl)octadecan-1-amine
CID 57073592
N-(3-iminopropyl)hexadecan-1-amine
CID 57171884
N'-[3-(octadecylideneamino)propyl]propane-1,3-diamine
CID 57277505
2-(Octadecylideneamino)ethanamine
CID 57311237
N'-[2-(butylideneamino)ethyl]ethane-1,2-diamine
CID 57324714

Frequently Asked Questions

What is the IUPAC name of N'-[2-(octadecylideneamino)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(octadecylideneamino)ethyl]ethane-1,2-diamine (CID 54218215) is N'-[2-(octadecylideneamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(octadecylideneamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(octadecylideneamino)ethyl]ethane-1,2-diamine is CCCCCCCCCCCCCCCCC/C=N/CCNCCN.
What is the InChIKey of N'-[2-(octadecylideneamino)ethyl]ethane-1,2-diamine?
The InChIKey is QARKGUSNKMSFAK-LYBHJNIJSA-N. The full InChI is InChI=1S/C22H47N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-21-22-25-20-18-23/h19,25H,2-18,20-23H2,1H3/b24-19+.
What are the key properties of N'-[2-(octadecylideneamino)ethyl]ethane-1,2-diamine?
N'-[2-(octadecylideneamino)ethyl]ethane-1,2-diamine has a molecular weight of 353.64 g/mol, XLogP of 5.87, 21 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(octadecylideneamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 54218215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).