2-[2-[chloro(methyl)phosphoryl]-2-(propan-2-ylamino)hydrazinyl]propane

C7H19ClN3OP — CID 140673569

IUPAC2-[2-[chloro(methyl)phosphoryl]-2-(propan-2-ylamino)hydrazinyl]propane
SMILESCC(C)NN(NC(C)C)P(C)(=O)Cl
InChIInChI=1S/C7H19ClN3OP/c1-6(2)9-11(10-7(3)4)13(5,8)12/h6-7,9-10H,1-5H3
InChIKeyPLOGSQDCVQSVHX-UHFFFAOYSA-N
MW227.68 g/mol
LogP2.18
Rot. Bonds5

About 2-[2-[chloro(methyl)phosphoryl]-2-(propan-2-ylamino)hydrazinyl]propane

2-[2-[chloro(methyl)phosphoryl]-2-(propan-2-ylamino)hydrazinyl]propane (PubChem CID 140673569) has the molecular formula C7H19ClN3OP and a molecular weight of 227.68 g/mol. Its IUPAC name is 2-[2-[chloro(methyl)phosphoryl]-2-(propan-2-ylamino)hydrazinyl]propane.

Molecular Properties

Compound Name2-[2-[chloro(methyl)phosphoryl]-2-(propan-2-ylamino)hydrazinyl]propane
PubChem CID140673569
Molecular FormulaC7H19ClN3OP
Molecular Weight227.68 g/mol
Exact Mass227.10
IUPAC Name2-[2-[chloro(methyl)phosphoryl]-2-(propan-2-ylamino)hydrazinyl]propane
SMILESCC(C)NN(NC(C)C)P(C)(=O)Cl
InChIInChI=1S/C7H19ClN3OP/c1-6(2)9-11(10-7(3)4)13(5,8)12/h6-7,9-10H,1-5H3
InChIKeyPLOGSQDCVQSVHX-UHFFFAOYSA-N
XLogP2.18
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.68
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[chloro(methyl)phosphoryl]-2-(propan-2-ylamino)hydrazinyl]propane?
The IUPAC name of 2-[2-[chloro(methyl)phosphoryl]-2-(propan-2-ylamino)hydrazinyl]propane (CID 140673569) is 2-[2-[chloro(methyl)phosphoryl]-2-(propan-2-ylamino)hydrazinyl]propane.
What is the SMILES notation for 2-[2-[chloro(methyl)phosphoryl]-2-(propan-2-ylamino)hydrazinyl]propane?
The canonical SMILES for 2-[2-[chloro(methyl)phosphoryl]-2-(propan-2-ylamino)hydrazinyl]propane is CC(C)NN(NC(C)C)P(C)(=O)Cl.
What is the InChIKey of 2-[2-[chloro(methyl)phosphoryl]-2-(propan-2-ylamino)hydrazinyl]propane?
The InChIKey is PLOGSQDCVQSVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19ClN3OP/c1-6(2)9-11(10-7(3)4)13(5,8)12/h6-7,9-10H,1-5H3.
What are the key properties of 2-[2-[chloro(methyl)phosphoryl]-2-(propan-2-ylamino)hydrazinyl]propane?
2-[2-[chloro(methyl)phosphoryl]-2-(propan-2-ylamino)hydrazinyl]propane has a molecular weight of 227.68 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[chloro(methyl)phosphoryl]-2-(propan-2-ylamino)hydrazinyl]propane is sourced from PubChem (CID 140673569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).