(Z)-1-dimethoxyphosphoryl-3-methylbut-1-en-2-amine

C7H16NO3P — CID 13103932

IUPAC(Z)-1-dimethoxyphosphoryl-3-methylbut-1-en-2-amine
SMILESCOP(=O)(/C=C(\N)C(C)C)OC
InChIInChI=1S/C7H16NO3P/c1-6(2)7(8)5-12(9,10-3)11-4/h5-6H,8H2,1-4H3/b7-5-
InChIKeyPFIKBQJVRMDNIO-ALCCZGGFSA-N
MW193.18 g/mol
LogP1.93
Rot. Bonds4

About (Z)-1-dimethoxyphosphoryl-3-methylbut-1-en-2-amine

(Z)-1-dimethoxyphosphoryl-3-methylbut-1-en-2-amine (PubChem CID 13103932) has the molecular formula C7H16NO3P and a molecular weight of 193.18 g/mol. Its IUPAC name is (Z)-1-dimethoxyphosphoryl-3-methylbut-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-dimethoxyphosphoryl-3-methylbut-1-en-2-amine
PubChem CID13103932
Molecular FormulaC7H16NO3P
Molecular Weight193.18 g/mol
Exact Mass193.09
IUPAC Name(Z)-1-dimethoxyphosphoryl-3-methylbut-1-en-2-amine
SMILESCOP(=O)(/C=C(\N)C(C)C)OC
InChIInChI=1S/C7H16NO3P/c1-6(2)7(8)5-12(9,10-3)11-4/h5-6H,8H2,1-4H3/b7-5-
InChIKeyPFIKBQJVRMDNIO-ALCCZGGFSA-N
XLogP1.93
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-amino-3-methylbut-1-ene-1-thiol
CID 88580233
4-methylpent-2-en-3-amine
CID 72590374
methyl (E)-3-dimethoxyphosphoryl-2-methylprop-2-enoate
CID 15247807
1-dimethoxyphosphorylethene;methanol
CID 174918241
ethenyl(methoxy)phosphinic acid
CID 19693452
(E)-2-dimethoxyphosphoryl-1-ethylsulfanyl-1-methylsulfanylethene
CID 134921855
1-(diaminomethylideneamino)ethyl methyl phosphate
CID 21145072
ethenyl(methoxy)phosphinic acid;ethenylphosphonic acid
CID 158810817
ethyl (E)-3-amino-4-methylpent-2-enoate
CID 11579171
N-[(E)-4-dimethoxyphosphorylbut-3-en-2-yl]acetamide
CID 14924309
4-methylpent-2-ene-1,3-diamine
CID 175534446
(2R)-1-amino-1-dimethoxyphosphorylpropan-2-ol
CID 167170160

Frequently Asked Questions

What is the IUPAC name of (Z)-1-dimethoxyphosphoryl-3-methylbut-1-en-2-amine?
The IUPAC name of (Z)-1-dimethoxyphosphoryl-3-methylbut-1-en-2-amine (CID 13103932) is (Z)-1-dimethoxyphosphoryl-3-methylbut-1-en-2-amine.
What is the SMILES notation for (Z)-1-dimethoxyphosphoryl-3-methylbut-1-en-2-amine?
The canonical SMILES for (Z)-1-dimethoxyphosphoryl-3-methylbut-1-en-2-amine is COP(=O)(/C=C(\N)C(C)C)OC.
What is the InChIKey of (Z)-1-dimethoxyphosphoryl-3-methylbut-1-en-2-amine?
The InChIKey is PFIKBQJVRMDNIO-ALCCZGGFSA-N. The full InChI is InChI=1S/C7H16NO3P/c1-6(2)7(8)5-12(9,10-3)11-4/h5-6H,8H2,1-4H3/b7-5-.
What are the key properties of (Z)-1-dimethoxyphosphoryl-3-methylbut-1-en-2-amine?
(Z)-1-dimethoxyphosphoryl-3-methylbut-1-en-2-amine has a molecular weight of 193.18 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-dimethoxyphosphoryl-3-methylbut-1-en-2-amine is sourced from PubChem (CID 13103932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).