N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;1,3,2-dioxaphosphonan-2-ium 2-oxide

C12H30N4O3P+ — CID 159816078

IUPACN'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;1,3,2-dioxaphosphonan-2-ium 2-oxide
SMILESNCCNCCNCCN.O=[P+]1OCCCCCCO1
InChIInChI=1S/C6H18N4.C6H12O3P/c7-1-3-9-5-6-10-4-2-8;7-10-8-5-3-1-2-4-6-9-10/h9-10H,1-8H2;1-6H2/q;+1
InChIKeyUWZCFTCHXVTUGG-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.33
Rot. Bonds7

About N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;1,3,2-dioxaphosphonan-2-ium 2-oxide

N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;1,3,2-dioxaphosphonan-2-ium 2-oxide (PubChem CID 159816078) has the molecular formula C12H30N4O3P+ and a molecular weight of 309.37 g/mol. Its IUPAC name is N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;1,3,2-dioxaphosphonan-2-ium 2-oxide.

Molecular Properties

Compound NameN'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;1,3,2-dioxaphosphonan-2-ium 2-oxide
PubChem CID159816078
Molecular FormulaC12H30N4O3P+
Molecular Weight309.37 g/mol
Exact Mass309.21
IUPAC NameN'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;1,3,2-dioxaphosphonan-2-ium 2-oxide
SMILESNCCNCCNCCN.O=[P+]1OCCCCCCO1
InChIInChI=1S/C6H18N4.C6H12O3P/c7-1-3-9-5-6-10-4-2-8;7-10-8-5-3-1-2-4-6-9-10/h9-10H,1-8H2;1-6H2/q;+1
InChIKeyUWZCFTCHXVTUGG-UHFFFAOYSA-N
XLogP0.33
TPSA111.63 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;1,3,2-dioxaphosphonan-2-ium 2-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride
CID 10150970
cyclopropane;N'-propylethane-1,2-diamine
CID 175530712
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;ethene
CID 159799374
N'-[2-[2-(fluoroamino)ethylamino]ethyl]ethane-1,2-diamine
CID 87318857
CID 159611388
CID 159611388
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;carbamic acid
CID 158173045
N'-[2-(3-cyclodecylpropylamino)ethyl]ethane-1,2-diamine
CID 126513357
N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;antimony(5+);ethane-1,2-diamine;lanthanum(3+);tetrakis(selenium(2-))
CID 139165833
acetic acid;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 30081

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;1,3,2-dioxaphosphonan-2-ium 2-oxide?
The IUPAC name of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;1,3,2-dioxaphosphonan-2-ium 2-oxide (CID 159816078) is N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;1,3,2-dioxaphosphonan-2-ium 2-oxide.
What is the SMILES notation for N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;1,3,2-dioxaphosphonan-2-ium 2-oxide?
The canonical SMILES for N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;1,3,2-dioxaphosphonan-2-ium 2-oxide is NCCNCCNCCN.O=[P+]1OCCCCCCO1.
What is the InChIKey of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;1,3,2-dioxaphosphonan-2-ium 2-oxide?
The InChIKey is UWZCFTCHXVTUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N4.C6H12O3P/c7-1-3-9-5-6-10-4-2-8;7-10-8-5-3-1-2-4-6-9-10/h9-10H,1-8H2;1-6H2/q;+1.
What are the key properties of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;1,3,2-dioxaphosphonan-2-ium 2-oxide?
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;1,3,2-dioxaphosphonan-2-ium 2-oxide has a molecular weight of 309.37 g/mol, XLogP of 0.33, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;1,3,2-dioxaphosphonan-2-ium 2-oxide is sourced from PubChem (CID 159816078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).