N-methyl-N-[(N-phenyl-C-pyrrolidin-1-ylcarbonimidoyl)-pyrrolidin-1-ylphosphoryl]methanamine

C17H27N4OP — CID 11864755

IUPACN-methyl-N-[(N-phenyl-C-pyrrolidin-1-ylcarbonimidoyl)-pyrrolidin-1-ylphosphoryl]methanamine
SMILESCN(C)[P@](=O)(/C(=N\c1ccccc1)N1CCCC1)N1CCCC1
InChIInChI=1S/C17H27N4OP/c1-19(2)23(22,21-14-8-9-15-21)17(20-12-6-7-13-20)18-16-10-4-3-5-11-16/h3-5,10-11H,6-9,12-15H2,1-2H3/b18-17-/t23-/m1/s1
InChIKeyFHCNACFDJKNIJX-WTXCJRJRSA-N
MW334.40 g/mol
LogP3.62
Rot. Bonds4

About N-methyl-N-[(N-phenyl-C-pyrrolidin-1-ylcarbonimidoyl)-pyrrolidin-1-ylphosphoryl]methanamine

N-methyl-N-[(N-phenyl-C-pyrrolidin-1-ylcarbonimidoyl)-pyrrolidin-1-ylphosphoryl]methanamine (PubChem CID 11864755) has the molecular formula C17H27N4OP and a molecular weight of 334.40 g/mol. Its IUPAC name is N-methyl-N-[(N-phenyl-C-pyrrolidin-1-ylcarbonimidoyl)-pyrrolidin-1-ylphosphoryl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(N-phenyl-C-pyrrolidin-1-ylcarbonimidoyl)-pyrrolidin-1-ylphosphoryl]methanamine
PubChem CID11864755
Molecular FormulaC17H27N4OP
Molecular Weight334.40 g/mol
Exact Mass334.19
IUPAC NameN-methyl-N-[(N-phenyl-C-pyrrolidin-1-ylcarbonimidoyl)-pyrrolidin-1-ylphosphoryl]methanamine
SMILESCN(C)[P@](=O)(/C(=N\c1ccccc1)N1CCCC1)N1CCCC1
InChIInChI=1S/C17H27N4OP/c1-19(2)23(22,21-14-8-9-15-21)17(20-12-6-7-13-20)18-16-10-4-3-5-11-16/h3-5,10-11H,6-9,12-15H2,1-2H3/b18-17-/t23-/m1/s1
InChIKeyFHCNACFDJKNIJX-WTXCJRJRSA-N
XLogP3.62
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-methyl-N-[(N-phenyl-C-pyrrolidin-1-ylcarbonimidoyl)-pyrrolidin-1-ylphosphoryl]methanamine?
The IUPAC name of N-methyl-N-[(N-phenyl-C-pyrrolidin-1-ylcarbonimidoyl)-pyrrolidin-1-ylphosphoryl]methanamine (CID 11864755) is N-methyl-N-[(N-phenyl-C-pyrrolidin-1-ylcarbonimidoyl)-pyrrolidin-1-ylphosphoryl]methanamine.
What is the SMILES notation for N-methyl-N-[(N-phenyl-C-pyrrolidin-1-ylcarbonimidoyl)-pyrrolidin-1-ylphosphoryl]methanamine?
The canonical SMILES for N-methyl-N-[(N-phenyl-C-pyrrolidin-1-ylcarbonimidoyl)-pyrrolidin-1-ylphosphoryl]methanamine is CN(C)[P@](=O)(/C(=N\c1ccccc1)N1CCCC1)N1CCCC1.
What is the InChIKey of N-methyl-N-[(N-phenyl-C-pyrrolidin-1-ylcarbonimidoyl)-pyrrolidin-1-ylphosphoryl]methanamine?
The InChIKey is FHCNACFDJKNIJX-WTXCJRJRSA-N. The full InChI is InChI=1S/C17H27N4OP/c1-19(2)23(22,21-14-8-9-15-21)17(20-12-6-7-13-20)18-16-10-4-3-5-11-16/h3-5,10-11H,6-9,12-15H2,1-2H3/b18-17-/t23-/m1/s1.
What are the key properties of N-methyl-N-[(N-phenyl-C-pyrrolidin-1-ylcarbonimidoyl)-pyrrolidin-1-ylphosphoryl]methanamine?
N-methyl-N-[(N-phenyl-C-pyrrolidin-1-ylcarbonimidoyl)-pyrrolidin-1-ylphosphoryl]methanamine has a molecular weight of 334.40 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(N-phenyl-C-pyrrolidin-1-ylcarbonimidoyl)-pyrrolidin-1-ylphosphoryl]methanamine is sourced from PubChem (CID 11864755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).