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

C22H49N5 — CID 139695795

IUPACN'-[2-[2-[2-(tetradec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
SMILESCCCCCCCCCCCCC=CNCCNCCNCCNCCN
InChIInChI=1S/C22H49N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-24-17-19-26-21-22-27-20-18-25-16-14-23/h13,15,24-27H,2-12,14,16-23H2,1H3
InChIKeyJUPXFTCLXRSQJR-UHFFFAOYSA-N
MW383.67 g/mol
LogP3.13
Rot. Bonds23

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

N'-[2-[2-[2-(tetradec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine (PubChem CID 139695795) has the molecular formula C22H49N5 and a molecular weight of 383.67 g/mol. Its IUPAC name is N'-[2-[2-[2-(tetradec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[2-[2-(tetradec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
PubChem CID139695795
Molecular FormulaC22H49N5
Molecular Weight383.67 g/mol
Exact Mass383.40
IUPAC NameN'-[2-[2-[2-(tetradec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
SMILESCCCCCCCCCCCCC=CNCCNCCNCCNCCN
InChIInChI=1S/C22H49N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-24-17-19-26-21-22-27-20-18-25-16-14-23/h13,15,24-27H,2-12,14,16-23H2,1H3
InChIKeyJUPXFTCLXRSQJR-UHFFFAOYSA-N
XLogP3.13
TPSA74.14 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds23
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.67
LogP ≤ 53.13
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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Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-[2-(tetradec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[2-[2-(tetradec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine (CID 139695795) is N'-[2-[2-[2-(tetradec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[2-[2-(tetradec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[2-[2-(tetradec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine is CCCCCCCCCCCCC=CNCCNCCNCCNCCN.
What is the InChIKey of N'-[2-[2-[2-(tetradec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine?
The InChIKey is JUPXFTCLXRSQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H49N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-24-17-19-26-21-22-27-20-18-25-16-14-23/h13,15,24-27H,2-12,14,16-23H2,1H3.
What are the key properties of N'-[2-[2-[2-(tetradec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine?
N'-[2-[2-[2-(tetradec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine has a molecular weight of 383.67 g/mol, XLogP of 3.13, 23 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-[2-(tetradec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 139695795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).