N',N'-bis(prop-2-enyl)ethane-1,2-diamine;phosphoric acid

C8H22N2O8P2 — CID 87487542

IUPACN',N'-bis(prop-2-enyl)ethane-1,2-diamine;phosphoric acid
SMILESC=CCN(CC=C)CCN.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/C8H16N2.2H3O4P/c1-3-6-10(7-4-2)8-5-9;2*1-5(2,3)4/h3-4H,1-2,5-9H2;2*(H3,1,2,3,4)
InChIKeyXYWOXNSKIAOCCD-UHFFFAOYSA-N
MW336.22 g/mol
LogP-1.24
Rot. Bonds6

About N',N'-bis(prop-2-enyl)ethane-1,2-diamine;phosphoric acid

N',N'-bis(prop-2-enyl)ethane-1,2-diamine;phosphoric acid (PubChem CID 87487542) has the molecular formula C8H22N2O8P2 and a molecular weight of 336.22 g/mol. Its IUPAC name is N',N'-bis(prop-2-enyl)ethane-1,2-diamine;phosphoric acid.

Molecular Properties

Compound NameN',N'-bis(prop-2-enyl)ethane-1,2-diamine;phosphoric acid
PubChem CID87487542
Molecular FormulaC8H22N2O8P2
Molecular Weight336.22 g/mol
Exact Mass336.09
IUPAC NameN',N'-bis(prop-2-enyl)ethane-1,2-diamine;phosphoric acid
SMILESC=CCN(CC=C)CCN.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/C8H16N2.2H3O4P/c1-3-6-10(7-4-2)8-5-9;2*1-5(2,3)4/h3-4H,1-2,5-9H2;2*(H3,1,2,3,4)
InChIKeyXYWOXNSKIAOCCD-UHFFFAOYSA-N
XLogP-1.24
TPSA184.78 Ų
H-Bond Donors7
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.22
LogP ≤ 5-1.24
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-bis(prop-2-enyl)ethane-1,2-diamine;phosphoric acid?
The IUPAC name of N',N'-bis(prop-2-enyl)ethane-1,2-diamine;phosphoric acid (CID 87487542) is N',N'-bis(prop-2-enyl)ethane-1,2-diamine;phosphoric acid.
What is the SMILES notation for N',N'-bis(prop-2-enyl)ethane-1,2-diamine;phosphoric acid?
The canonical SMILES for N',N'-bis(prop-2-enyl)ethane-1,2-diamine;phosphoric acid is C=CCN(CC=C)CCN.O=P(O)(O)O.O=P(O)(O)O.
What is the InChIKey of N',N'-bis(prop-2-enyl)ethane-1,2-diamine;phosphoric acid?
The InChIKey is XYWOXNSKIAOCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.2H3O4P/c1-3-6-10(7-4-2)8-5-9;2*1-5(2,3)4/h3-4H,1-2,5-9H2;2*(H3,1,2,3,4).
What are the key properties of N',N'-bis(prop-2-enyl)ethane-1,2-diamine;phosphoric acid?
N',N'-bis(prop-2-enyl)ethane-1,2-diamine;phosphoric acid has a molecular weight of 336.22 g/mol, XLogP of -1.24, 6 rotatable bonds, 7 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(prop-2-enyl)ethane-1,2-diamine;phosphoric acid is sourced from PubChem (CID 87487542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).