N,N'-bis(prop-2-enyl)pentane-1,5-diamine;phosphoric acid

C11H28N2O8P2 — CID 87465549

IUPACN,N'-bis(prop-2-enyl)pentane-1,5-diamine;phosphoric acid
SMILESC=CCNCCCCCNCC=C.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/C11H22N2.2H3O4P/c1-3-8-12-10-6-5-7-11-13-9-4-2;2*1-5(2,3)4/h3-4,12-13H,1-2,5-11H2;2*(H3,1,2,3,4)
InChIKeyGTLCKEZRLKREQU-UHFFFAOYSA-N
MW378.30 g/mol
LogP-0.15
Rot. Bonds10

About N,N'-bis(prop-2-enyl)pentane-1,5-diamine;phosphoric acid

N,N'-bis(prop-2-enyl)pentane-1,5-diamine;phosphoric acid (PubChem CID 87465549) has the molecular formula C11H28N2O8P2 and a molecular weight of 378.30 g/mol. Its IUPAC name is N,N'-bis(prop-2-enyl)pentane-1,5-diamine;phosphoric acid.

Molecular Properties

Compound NameN,N'-bis(prop-2-enyl)pentane-1,5-diamine;phosphoric acid
PubChem CID87465549
Molecular FormulaC11H28N2O8P2
Molecular Weight378.30 g/mol
Exact Mass378.13
IUPAC NameN,N'-bis(prop-2-enyl)pentane-1,5-diamine;phosphoric acid
SMILESC=CCNCCCCCNCC=C.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/C11H22N2.2H3O4P/c1-3-8-12-10-6-5-7-11-13-9-4-2;2*1-5(2,3)4/h3-4,12-13H,1-2,5-11H2;2*(H3,1,2,3,4)
InChIKeyGTLCKEZRLKREQU-UHFFFAOYSA-N
XLogP-0.15
TPSA179.58 Ų
H-Bond Donors8
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.30
LogP ≤ 5-0.15
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)pentane-1,5-diamine;phosphoric acid?
The IUPAC name of N,N'-bis(prop-2-enyl)pentane-1,5-diamine;phosphoric acid (CID 87465549) is N,N'-bis(prop-2-enyl)pentane-1,5-diamine;phosphoric acid.
What is the SMILES notation for N,N'-bis(prop-2-enyl)pentane-1,5-diamine;phosphoric acid?
The canonical SMILES for N,N'-bis(prop-2-enyl)pentane-1,5-diamine;phosphoric acid is C=CCNCCCCCNCC=C.O=P(O)(O)O.O=P(O)(O)O.
What is the InChIKey of N,N'-bis(prop-2-enyl)pentane-1,5-diamine;phosphoric acid?
The InChIKey is GTLCKEZRLKREQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.2H3O4P/c1-3-8-12-10-6-5-7-11-13-9-4-2;2*1-5(2,3)4/h3-4,12-13H,1-2,5-11H2;2*(H3,1,2,3,4).
What are the key properties of N,N'-bis(prop-2-enyl)pentane-1,5-diamine;phosphoric acid?
N,N'-bis(prop-2-enyl)pentane-1,5-diamine;phosphoric acid has a molecular weight of 378.30 g/mol, XLogP of -0.15, 10 rotatable bonds, 8 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(prop-2-enyl)pentane-1,5-diamine;phosphoric acid is sourced from PubChem (CID 87465549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).