N'-[2-[2-[2-[[(Z)-octadec-9-enyl]amino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine

C26H57N5 — CID 14440237

IUPACN'-[2-[2-[2-[[(Z)-octadec-9-enyl]amino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
SMILESCCCCCCCC/C=C\CCCCCCCCNCCNCCNCCNCCN
InChIInChI=1S/C26H57N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28-21-23-30-25-26-31-24-22-29-20-18-27/h9-10,28-31H,2-8,11-27H2,1H3/b10-9-
InChIKeyFSLQRIQKMQKBQI-KTKRTIGZSA-N
MW439.78 g/mol
LogP4.34
Rot. Bonds27

About N'-[2-[2-[2-[[(Z)-octadec-9-enyl]amino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine

N'-[2-[2-[2-[[(Z)-octadec-9-enyl]amino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine (PubChem CID 14440237) has the molecular formula C26H57N5 and a molecular weight of 439.78 g/mol. Its IUPAC name is N'-[2-[2-[2-[[(Z)-octadec-9-enyl]amino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[2-[2-[[(Z)-octadec-9-enyl]amino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
PubChem CID14440237
Molecular FormulaC26H57N5
Molecular Weight439.78 g/mol
Exact Mass439.46
IUPAC NameN'-[2-[2-[2-[[(Z)-octadec-9-enyl]amino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
SMILESCCCCCCCC/C=C\CCCCCCCCNCCNCCNCCNCCN
InChIInChI=1S/C26H57N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28-21-23-30-25-26-31-24-22-29-20-18-27/h9-10,28-31H,2-8,11-27H2,1H3/b10-9-
InChIKeyFSLQRIQKMQKBQI-KTKRTIGZSA-N
XLogP4.34
TPSA74.14 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds27
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.78
LogP ≤ 54.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-[2-[[(Z)-octadec-9-enyl]amino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[2-[2-[[(Z)-octadec-9-enyl]amino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine (CID 14440237) is N'-[2-[2-[2-[[(Z)-octadec-9-enyl]amino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[2-[2-[[(Z)-octadec-9-enyl]amino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[2-[2-[[(Z)-octadec-9-enyl]amino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine is CCCCCCCC/C=C\CCCCCCCCNCCNCCNCCNCCN.
What is the InChIKey of N'-[2-[2-[2-[[(Z)-octadec-9-enyl]amino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine?
The InChIKey is FSLQRIQKMQKBQI-KTKRTIGZSA-N. The full InChI is InChI=1S/C26H57N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28-21-23-30-25-26-31-24-22-29-20-18-27/h9-10,28-31H,2-8,11-27H2,1H3/b10-9-.
What are the key properties of N'-[2-[2-[2-[[(Z)-octadec-9-enyl]amino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine?
N'-[2-[2-[2-[[(Z)-octadec-9-enyl]amino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine has a molecular weight of 439.78 g/mol, XLogP of 4.34, 27 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-[2-[[(Z)-octadec-9-enyl]amino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 14440237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).