N'-[2-[[[2-(2-aminoethylamino)ethylamino]oxy-butylphosphoryl]oxyamino]ethyl]ethane-1,2-diamine

C12H33N6O3P — CID 57234029

IUPACN'-[2-[[[2-(2-aminoethylamino)ethylamino]oxy-butylphosphoryl]oxyamino]ethyl]ethane-1,2-diamine
SMILESCCCCP(=O)(ONCCNCCN)ONCCNCCN
InChIInChI=1S/C12H33N6O3P/c1-2-3-12-22(19,20-17-10-8-15-6-4-13)21-18-11-9-16-7-5-14/h15-18H,2-14H2,1H3
InChIKeyCMWFMDSRXYOHNH-UHFFFAOYSA-N
MW340.41 g/mol
LogP-0.88
Rot. Bonds17

About N'-[2-[[[2-(2-aminoethylamino)ethylamino]oxy-butylphosphoryl]oxyamino]ethyl]ethane-1,2-diamine

N'-[2-[[[2-(2-aminoethylamino)ethylamino]oxy-butylphosphoryl]oxyamino]ethyl]ethane-1,2-diamine (PubChem CID 57234029) has the molecular formula C12H33N6O3P and a molecular weight of 340.41 g/mol. Its IUPAC name is N'-[2-[[[2-(2-aminoethylamino)ethylamino]oxy-butylphosphoryl]oxyamino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[[[2-(2-aminoethylamino)ethylamino]oxy-butylphosphoryl]oxyamino]ethyl]ethane-1,2-diamine
PubChem CID57234029
Molecular FormulaC12H33N6O3P
Molecular Weight340.41 g/mol
Exact Mass340.24
IUPAC NameN'-[2-[[[2-(2-aminoethylamino)ethylamino]oxy-butylphosphoryl]oxyamino]ethyl]ethane-1,2-diamine
SMILESCCCCP(=O)(ONCCNCCN)ONCCNCCN
InChIInChI=1S/C12H33N6O3P/c1-2-3-12-22(19,20-17-10-8-15-6-4-13)21-18-11-9-16-7-5-14/h15-18H,2-14H2,1H3
InChIKeyCMWFMDSRXYOHNH-UHFFFAOYSA-N
XLogP-0.88
TPSA135.69 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.41
LogP ≤ 5-0.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N'-[2-[[[2-(2-aminoethylamino)ethylamino]oxy-butylphosphoryl]oxyamino]ethyl]ethane-1,2-diamine with MolForge

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Related Compounds

[2-(2-aminoethylamino)ethylamino]oxy-propylphosphinic acid
CID 175606321
sodium [2-(2-aminoethylamino)ethylamino]oxy-propylphosphinate
CID 175606320
magnesium;[2-(2-aminoethylamino)ethylamino]oxy-pentylphosphinic acid;hydride
CID 175098110
potassium;[2-(2-aminoethylamino)ethylamino]oxy-pentylphosphinic acid;hydride
CID 173094919
sodium;[2-[2-(2-aminoethylamino)ethylamino]ethylamino]oxy-hexylphosphinic acid;hydride
CID 173095096
alumane;(2-aminoethylamino)oxy-butylphosphinic acid
CID 175052605
[2-(2-aminoethylamino)ethylamino] 2-octyldecanoate
CID 174853897
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;hexan-1-amine
CID 87602895
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;methylphosphonic acid
CID 162177359
formaldehyde;N'-[2-(propylamino)ethyl]ethane-1,2-diamine
CID 174938120
N'-[2-(hexatriacontylamino)ethyl]ethane-1,2-diamine
CID 88704371
N'-[2-[2-[2-[2-[2-[di(nonadecoxy)phosphorylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 46183974

Frequently Asked Questions

What is the IUPAC name of N'-[2-[[[2-(2-aminoethylamino)ethylamino]oxy-butylphosphoryl]oxyamino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[[[2-(2-aminoethylamino)ethylamino]oxy-butylphosphoryl]oxyamino]ethyl]ethane-1,2-diamine (CID 57234029) is N'-[2-[[[2-(2-aminoethylamino)ethylamino]oxy-butylphosphoryl]oxyamino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[[[2-(2-aminoethylamino)ethylamino]oxy-butylphosphoryl]oxyamino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[[[2-(2-aminoethylamino)ethylamino]oxy-butylphosphoryl]oxyamino]ethyl]ethane-1,2-diamine is CCCCP(=O)(ONCCNCCN)ONCCNCCN.
What is the InChIKey of N'-[2-[[[2-(2-aminoethylamino)ethylamino]oxy-butylphosphoryl]oxyamino]ethyl]ethane-1,2-diamine?
The InChIKey is CMWFMDSRXYOHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H33N6O3P/c1-2-3-12-22(19,20-17-10-8-15-6-4-13)21-18-11-9-16-7-5-14/h15-18H,2-14H2,1H3.
What are the key properties of N'-[2-[[[2-(2-aminoethylamino)ethylamino]oxy-butylphosphoryl]oxyamino]ethyl]ethane-1,2-diamine?
N'-[2-[[[2-(2-aminoethylamino)ethylamino]oxy-butylphosphoryl]oxyamino]ethyl]ethane-1,2-diamine has a molecular weight of 340.41 g/mol, XLogP of -0.88, 17 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[[[2-(2-aminoethylamino)ethylamino]oxy-butylphosphoryl]oxyamino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 57234029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).