N-methyl-N-[morpholin-4-yl-[(2E)-2-(1-phenylethylidene)hydrazinyl]phosphoryl]methanamine

C14H23N4O2P — CID 13381625

IUPACN-methyl-N-[morpholin-4-yl-[(2E)-2-(1-phenylethylidene)hydrazinyl]phosphoryl]methanamine
SMILESC/C(=N\NP(=O)(N(C)C)N1CCOCC1)c1ccccc1
InChIInChI=1S/C14H23N4O2P/c1-13(14-7-5-4-6-8-14)15-16-21(19,17(2)3)18-9-11-20-12-10-18/h4-8H,9-12H2,1-3H3,(H,16,19)/b15-13+
InChIKeyONGLBKCHUMANOX-FYWRMAATSA-N
MW310.34 g/mol
LogP2.00
Rot. Bonds5

About N-methyl-N-[morpholin-4-yl-[(2E)-2-(1-phenylethylidene)hydrazinyl]phosphoryl]methanamine

N-methyl-N-[morpholin-4-yl-[(2E)-2-(1-phenylethylidene)hydrazinyl]phosphoryl]methanamine (PubChem CID 13381625) has the molecular formula C14H23N4O2P and a molecular weight of 310.34 g/mol. Its IUPAC name is N-methyl-N-[morpholin-4-yl-[(2E)-2-(1-phenylethylidene)hydrazinyl]phosphoryl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[morpholin-4-yl-[(2E)-2-(1-phenylethylidene)hydrazinyl]phosphoryl]methanamine
PubChem CID13381625
Molecular FormulaC14H23N4O2P
Molecular Weight310.34 g/mol
Exact Mass310.16
IUPAC NameN-methyl-N-[morpholin-4-yl-[(2E)-2-(1-phenylethylidene)hydrazinyl]phosphoryl]methanamine
SMILESC/C(=N\NP(=O)(N(C)C)N1CCOCC1)c1ccccc1
InChIInChI=1S/C14H23N4O2P/c1-13(14-7-5-4-6-8-14)15-16-21(19,17(2)3)18-9-11-20-12-10-18/h4-8H,9-12H2,1-3H3,(H,16,19)/b15-13+
InChIKeyONGLBKCHUMANOX-FYWRMAATSA-N
XLogP2.00
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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 N-methyl-N-[morpholin-4-yl-[(2E)-2-(1-phenylethylidene)hydrazinyl]phosphoryl]methanamine?
The IUPAC name of N-methyl-N-[morpholin-4-yl-[(2E)-2-(1-phenylethylidene)hydrazinyl]phosphoryl]methanamine (CID 13381625) is N-methyl-N-[morpholin-4-yl-[(2E)-2-(1-phenylethylidene)hydrazinyl]phosphoryl]methanamine.
What is the SMILES notation for N-methyl-N-[morpholin-4-yl-[(2E)-2-(1-phenylethylidene)hydrazinyl]phosphoryl]methanamine?
The canonical SMILES for N-methyl-N-[morpholin-4-yl-[(2E)-2-(1-phenylethylidene)hydrazinyl]phosphoryl]methanamine is C/C(=N\NP(=O)(N(C)C)N1CCOCC1)c1ccccc1.
What is the InChIKey of N-methyl-N-[morpholin-4-yl-[(2E)-2-(1-phenylethylidene)hydrazinyl]phosphoryl]methanamine?
The InChIKey is ONGLBKCHUMANOX-FYWRMAATSA-N. The full InChI is InChI=1S/C14H23N4O2P/c1-13(14-7-5-4-6-8-14)15-16-21(19,17(2)3)18-9-11-20-12-10-18/h4-8H,9-12H2,1-3H3,(H,16,19)/b15-13+.
What are the key properties of N-methyl-N-[morpholin-4-yl-[(2E)-2-(1-phenylethylidene)hydrazinyl]phosphoryl]methanamine?
N-methyl-N-[morpholin-4-yl-[(2E)-2-(1-phenylethylidene)hydrazinyl]phosphoryl]methanamine has a molecular weight of 310.34 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[morpholin-4-yl-[(2E)-2-(1-phenylethylidene)hydrazinyl]phosphoryl]methanamine is sourced from PubChem (CID 13381625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).