N-diphenylphosphanyl-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine

C21H31N2P — CID 122548842

IUPACN-diphenylphosphanyl-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCN(C)P(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C21H31N2P/c1-18(2)23(19(3)4)17-16-22(5)24(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3
InChIKeyFDDSFTUJSJSXAQ-UHFFFAOYSA-N
MW342.47 g/mol
LogP4.08
Rot. Bonds8

About N-diphenylphosphanyl-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-diphenylphosphanyl-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 122548842) has the molecular formula C21H31N2P and a molecular weight of 342.47 g/mol. Its IUPAC name is N-diphenylphosphanyl-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-diphenylphosphanyl-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID122548842
Molecular FormulaC21H31N2P
Molecular Weight342.47 g/mol
Exact Mass342.22
IUPAC NameN-diphenylphosphanyl-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCN(C)P(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C21H31N2P/c1-18(2)23(19(3)4)17-16-22(5)24(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3
InChIKeyFDDSFTUJSJSXAQ-UHFFFAOYSA-N
XLogP4.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-diphenylphosphanyl-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-diphenylphosphanyl-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 122548842) is N-diphenylphosphanyl-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-diphenylphosphanyl-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-diphenylphosphanyl-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine is CC(C)N(CCN(C)P(c1ccccc1)c1ccccc1)C(C)C.
What is the InChIKey of N-diphenylphosphanyl-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is FDDSFTUJSJSXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N2P/c1-18(2)23(19(3)4)17-16-22(5)24(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3.
What are the key properties of N-diphenylphosphanyl-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-diphenylphosphanyl-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 342.47 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphanyl-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 122548842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).