(3E)-3-(1-aminoethylidene)-1-methyl-1-propan-2-ylurea;methylphosphane

C8H20N3OP — CID 142901240

IUPAC(3E)-3-(1-aminoethylidene)-1-methyl-1-propan-2-ylurea;methylphosphane
SMILESC/C(N)=N\C(=O)N(C)C(C)C.CP
InChIInChI=1S/C7H15N3O.CH5P/c1-5(2)10(4)7(11)9-6(3)8;1-2/h5H,1-4H3,(H2,8,9,11);2H2,1H3
InChIKeyAXEQPMROAUPNJH-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.32
Rot. Bonds1

About (3E)-3-(1-aminoethylidene)-1-methyl-1-propan-2-ylurea;methylphosphane

(3E)-3-(1-aminoethylidene)-1-methyl-1-propan-2-ylurea;methylphosphane (PubChem CID 142901240) has the molecular formula C8H20N3OP and a molecular weight of 205.24 g/mol. Its IUPAC name is (3E)-3-(1-aminoethylidene)-1-methyl-1-propan-2-ylurea;methylphosphane.

Molecular Properties

Compound Name(3E)-3-(1-aminoethylidene)-1-methyl-1-propan-2-ylurea;methylphosphane
PubChem CID142901240
Molecular FormulaC8H20N3OP
Molecular Weight205.24 g/mol
Exact Mass205.13
IUPAC Name(3E)-3-(1-aminoethylidene)-1-methyl-1-propan-2-ylurea;methylphosphane
SMILESC/C(N)=N\C(=O)N(C)C(C)C.CP
InChIInChI=1S/C7H15N3O.CH5P/c1-5(2)10(4)7(11)9-6(3)8;1-2/h5H,1-4H3,(H2,8,9,11);2H2,1H3
InChIKeyAXEQPMROAUPNJH-UHFFFAOYSA-N
XLogP1.32
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(1-aminoethylidene)-1-methyl-1-propan-2-ylurea;methylphosphane?
The IUPAC name of (3E)-3-(1-aminoethylidene)-1-methyl-1-propan-2-ylurea;methylphosphane (CID 142901240) is (3E)-3-(1-aminoethylidene)-1-methyl-1-propan-2-ylurea;methylphosphane.
What is the SMILES notation for (3E)-3-(1-aminoethylidene)-1-methyl-1-propan-2-ylurea;methylphosphane?
The canonical SMILES for (3E)-3-(1-aminoethylidene)-1-methyl-1-propan-2-ylurea;methylphosphane is C/C(N)=N\C(=O)N(C)C(C)C.CP.
What is the InChIKey of (3E)-3-(1-aminoethylidene)-1-methyl-1-propan-2-ylurea;methylphosphane?
The InChIKey is AXEQPMROAUPNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O.CH5P/c1-5(2)10(4)7(11)9-6(3)8;1-2/h5H,1-4H3,(H2,8,9,11);2H2,1H3.
What are the key properties of (3E)-3-(1-aminoethylidene)-1-methyl-1-propan-2-ylurea;methylphosphane?
(3E)-3-(1-aminoethylidene)-1-methyl-1-propan-2-ylurea;methylphosphane has a molecular weight of 205.24 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(1-aminoethylidene)-1-methyl-1-propan-2-ylurea;methylphosphane is sourced from PubChem (CID 142901240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).