N'-[(E)-tricos-1-enyl]ethane-1,2-diamine

C25H52N2 — CID 22930928

IUPACN'-[(E)-tricos-1-enyl]ethane-1,2-diamine
SMILESCCCCCCCCCCCCCCCCCCCCC/C=C/NCCN
InChIInChI=1S/C25H52N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27-25-23-26/h22,24,27H,2-21,23,25-26H2,1H3/b24-22+
InChIKeyGQTAQWOKNHRESN-ZNTNEXAZSA-N
MW380.71 g/mol
LogP7.87
Rot. Bonds23

About N'-[(E)-tricos-1-enyl]ethane-1,2-diamine

N'-[(E)-tricos-1-enyl]ethane-1,2-diamine (PubChem CID 22930928) has the molecular formula C25H52N2 and a molecular weight of 380.71 g/mol. Its IUPAC name is N'-[(E)-tricos-1-enyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(E)-tricos-1-enyl]ethane-1,2-diamine
PubChem CID22930928
Molecular FormulaC25H52N2
Molecular Weight380.71 g/mol
Exact Mass380.41
IUPAC NameN'-[(E)-tricos-1-enyl]ethane-1,2-diamine
SMILESCCCCCCCCCCCCCCCCCCCCC/C=C/NCCN
InChIInChI=1S/C25H52N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27-25-23-26/h22,24,27H,2-21,23,25-26H2,1H3/b24-22+
InChIKeyGQTAQWOKNHRESN-ZNTNEXAZSA-N
XLogP7.87
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.71
LogP ≤ 57.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[(E)-hexadec-1-enyl]ethane-1,2-diamine
CID 22930941
N'-[2-[2-[2-(dodec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 139695762
N'-[2-[2-[2-(tetradec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 139695795
N'-oct-1-enylhexane-1,6-diamine
CID 139771497
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
acetic acid;N'-octadec-1-enylpropane-1,3-diamine
CID 162315882
(Z)-N-butylhex-1-en-1-amine
CID 146262840
N'-[2-[2-[2-[2-[2-(octadec-9-enylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 154268370
N-tridecylprop-1-ene-1,3-diamine
CID 173118910
N-tetradecylprop-1-ene-1,3-diamine
CID 173093162
(E)-N'-[(Z)-octadec-9-enyl]ethene-1,2-diamine
CID 87608116

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-tricos-1-enyl]ethane-1,2-diamine?
The IUPAC name of N'-[(E)-tricos-1-enyl]ethane-1,2-diamine (CID 22930928) is N'-[(E)-tricos-1-enyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(E)-tricos-1-enyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(E)-tricos-1-enyl]ethane-1,2-diamine is CCCCCCCCCCCCCCCCCCCCC/C=C/NCCN.
What is the InChIKey of N'-[(E)-tricos-1-enyl]ethane-1,2-diamine?
The InChIKey is GQTAQWOKNHRESN-ZNTNEXAZSA-N. The full InChI is InChI=1S/C25H52N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27-25-23-26/h22,24,27H,2-21,23,25-26H2,1H3/b24-22+.
What are the key properties of N'-[(E)-tricos-1-enyl]ethane-1,2-diamine?
N'-[(E)-tricos-1-enyl]ethane-1,2-diamine has a molecular weight of 380.71 g/mol, XLogP of 7.87, 23 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-tricos-1-enyl]ethane-1,2-diamine is sourced from PubChem (CID 22930928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).