N'-[2-[2-[2-(dodec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine

C20H45N5 — CID 139695762

IUPACN'-[2-[2-[2-(dodec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
SMILESCCCCCCCCCCC=CNCCNCCNCCNCCN
InChIInChI=1S/C20H45N5/c1-2-3-4-5-6-7-8-9-10-11-13-22-15-17-24-19-20-25-18-16-23-14-12-21/h11,13,22-25H,2-10,12,14-21H2,1H3
InChIKeyMJIVOCBKUCLYRS-UHFFFAOYSA-N
MW355.62 g/mol
LogP2.35
Rot. Bonds21

About N'-[2-[2-[2-(dodec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine

N'-[2-[2-[2-(dodec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine (PubChem CID 139695762) has the molecular formula C20H45N5 and a molecular weight of 355.62 g/mol. Its IUPAC name is N'-[2-[2-[2-(dodec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[2-[2-(dodec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
PubChem CID139695762
Molecular FormulaC20H45N5
Molecular Weight355.62 g/mol
Exact Mass355.37
IUPAC NameN'-[2-[2-[2-(dodec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
SMILESCCCCCCCCCCC=CNCCNCCNCCNCCN
InChIInChI=1S/C20H45N5/c1-2-3-4-5-6-7-8-9-10-11-13-22-15-17-24-19-20-25-18-16-23-14-12-21/h11,13,22-25H,2-10,12,14-21H2,1H3
InChIKeyMJIVOCBKUCLYRS-UHFFFAOYSA-N
XLogP2.35
TPSA74.14 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 52.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[2-[2-(tetradec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 139695795
N'-[(E)-tricos-1-enyl]ethane-1,2-diamine
CID 22930928
N'-[(E)-hexadec-1-enyl]ethane-1,2-diamine
CID 22930941
N'-[3-(octadec-1-enylamino)propyl]propane-1,3-diamine
CID 173430140
N-but-1-enyl-N'-dec-1-enylethane-1,2-diamine
CID 88826631
N'-oct-1-enylhexane-1,6-diamine
CID 139771497
N'-[2-[2-[2-[2-[2-(octadec-9-enylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 154268370
acetic acid;N'-octadec-1-enylpropane-1,3-diamine
CID 162315882
N'-[(E)-octadec-9-enyl]propane-1,3-diamine
CID 6365166
(Z)-1-(2-aminoethylamino)octadec-9-en-3-ol
CID 139659771
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;hexan-1-amine
CID 87602895
N'-[2-(hexatriacontylamino)ethyl]ethane-1,2-diamine
CID 88704371

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-[2-(dodec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[2-[2-(dodec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine (CID 139695762) is N'-[2-[2-[2-(dodec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[2-[2-(dodec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[2-[2-(dodec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine is CCCCCCCCCCC=CNCCNCCNCCNCCN.
What is the InChIKey of N'-[2-[2-[2-(dodec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine?
The InChIKey is MJIVOCBKUCLYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H45N5/c1-2-3-4-5-6-7-8-9-10-11-13-22-15-17-24-19-20-25-18-16-23-14-12-21/h11,13,22-25H,2-10,12,14-21H2,1H3.
What are the key properties of N'-[2-[2-[2-(dodec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine?
N'-[2-[2-[2-(dodec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine has a molecular weight of 355.62 g/mol, XLogP of 2.35, 21 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-[2-(dodec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 139695762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).