N,N-dimethyl-4-[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]aniline

C20H34N5P — CID 10690887

IUPACN,N-dimethyl-4-[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]aniline
SMILESCN(C)c1ccc(N=P(N2CCCC2)(N2CCCC2)N2CCCC2)cc1
InChIInChI=1S/C20H34N5P/c1-22(2)20-11-9-19(10-12-20)21-26(23-13-3-4-14-23,24-15-5-6-16-24)25-17-7-8-18-25/h9-12H,3-8,13-18H2,1-2H3
InChIKeyBAXNDJHJIJRSCX-UHFFFAOYSA-N
MW375.50 g/mol
LogP4.62
Rot. Bonds5

About N,N-dimethyl-4-[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]aniline

N,N-dimethyl-4-[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]aniline (PubChem CID 10690887) has the molecular formula C20H34N5P and a molecular weight of 375.50 g/mol. Its IUPAC name is N,N-dimethyl-4-[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]aniline
PubChem CID10690887
Molecular FormulaC20H34N5P
Molecular Weight375.50 g/mol
Exact Mass375.26
IUPAC NameN,N-dimethyl-4-[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]aniline
SMILESCN(C)c1ccc(N=P(N2CCCC2)(N2CCCC2)N2CCCC2)cc1
InChIInChI=1S/C20H34N5P/c1-22(2)20-11-9-19(10-12-20)21-26(23-13-3-4-14-23,24-15-5-6-16-24)25-17-7-8-18-25/h9-12H,3-8,13-18H2,1-2H3
InChIKeyBAXNDJHJIJRSCX-UHFFFAOYSA-N
XLogP4.62
TPSA25.32 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]aniline?
The IUPAC name of N,N-dimethyl-4-[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]aniline (CID 10690887) is N,N-dimethyl-4-[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]aniline?
The canonical SMILES for N,N-dimethyl-4-[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]aniline is CN(C)c1ccc(N=P(N2CCCC2)(N2CCCC2)N2CCCC2)cc1.
What is the InChIKey of N,N-dimethyl-4-[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]aniline?
The InChIKey is BAXNDJHJIJRSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N5P/c1-22(2)20-11-9-19(10-12-20)21-26(23-13-3-4-14-23,24-15-5-6-16-24)25-17-7-8-18-25/h9-12H,3-8,13-18H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]aniline?
N,N-dimethyl-4-[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]aniline has a molecular weight of 375.50 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]aniline is sourced from PubChem (CID 10690887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).