N-(4-aminobutyl)-2-methylprop-2-enamide;phosphoric acid

C8H19N2O5P — CID 88539843

IUPACN-(4-aminobutyl)-2-methylprop-2-enamide;phosphoric acid
SMILESC=C(C)C(=O)NCCCCN.O=P(O)(O)O
InChIInChI=1S/C8H16N2O.H3O4P/c1-7(2)8(11)10-6-4-3-5-9;1-5(2,3)4/h1,3-6,9H2,2H3,(H,10,11);(H3,1,2,3,4)
InChIKeyYQFSUHWIMPUAFY-UHFFFAOYSA-N
MW254.22 g/mol
LogP-0.51
Rot. Bonds5

About N-(4-aminobutyl)-2-methylprop-2-enamide;phosphoric acid

N-(4-aminobutyl)-2-methylprop-2-enamide;phosphoric acid (PubChem CID 88539843) has the molecular formula C8H19N2O5P and a molecular weight of 254.22 g/mol. Its IUPAC name is N-(4-aminobutyl)-2-methylprop-2-enamide;phosphoric acid.

Molecular Properties

Compound NameN-(4-aminobutyl)-2-methylprop-2-enamide;phosphoric acid
PubChem CID88539843
Molecular FormulaC8H19N2O5P
Molecular Weight254.22 g/mol
Exact Mass254.10
IUPAC NameN-(4-aminobutyl)-2-methylprop-2-enamide;phosphoric acid
SMILESC=C(C)C(=O)NCCCCN.O=P(O)(O)O
InChIInChI=1S/C8H16N2O.H3O4P/c1-7(2)8(11)10-6-4-3-5-9;1-5(2,3)4/h1,3-6,9H2,2H3,(H,10,11);(H3,1,2,3,4)
InChIKeyYQFSUHWIMPUAFY-UHFFFAOYSA-N
XLogP-0.51
TPSA132.88 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 5-0.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-(8-aminooctyl)-2-methylprop-2-enamide
CID 86094836
N-(3-aminopropyl)-2-methylprop-2-enamide
CID 158225145
N-(3-aminopropyl)-2-methylprop-2-enamide;molecular hydrogen
CID 143745168
10-(2-methylprop-2-enoylamino)decylphosphonic acid
CID 18935053
11-(2-methylprop-2-enoylamino)undecylphosphonic acid
CID 102486312
N-[10-(dihydroxyphosphinothioylamino)decyl]-2-methylprop-2-enamide
CID 20684941
N-icosyl-2-methylprop-2-enamide
CID 22336363
N-(5-methoxypentyl)-2-methylprop-2-enamide
CID 137383659
2-methyl-N-[6-(propylamino)hexyl]prop-2-enamide
CID 18464100
4-(2-methylprop-2-enoylamino)butyl acetate
CID 87413342
6-amino-2-[[6-amino-2-(2-methylprop-2-enoylamino)hexanoyl]amino]-N-[1-amino-6-(2-methylprop-2-enoylamino)-1-oxohexan-2-yl]hexanamide
CID 88854923
N-(3-dimethylarsanylpropyl)-2-methylprop-2-enamide
CID 87191392

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-2-methylprop-2-enamide;phosphoric acid?
The IUPAC name of N-(4-aminobutyl)-2-methylprop-2-enamide;phosphoric acid (CID 88539843) is N-(4-aminobutyl)-2-methylprop-2-enamide;phosphoric acid.
What is the SMILES notation for N-(4-aminobutyl)-2-methylprop-2-enamide;phosphoric acid?
The canonical SMILES for N-(4-aminobutyl)-2-methylprop-2-enamide;phosphoric acid is C=C(C)C(=O)NCCCCN.O=P(O)(O)O.
What is the InChIKey of N-(4-aminobutyl)-2-methylprop-2-enamide;phosphoric acid?
The InChIKey is YQFSUHWIMPUAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.H3O4P/c1-7(2)8(11)10-6-4-3-5-9;1-5(2,3)4/h1,3-6,9H2,2H3,(H,10,11);(H3,1,2,3,4).
What are the key properties of N-(4-aminobutyl)-2-methylprop-2-enamide;phosphoric acid?
N-(4-aminobutyl)-2-methylprop-2-enamide;phosphoric acid has a molecular weight of 254.22 g/mol, XLogP of -0.51, 5 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-2-methylprop-2-enamide;phosphoric acid is sourced from PubChem (CID 88539843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).