3,5-ditert-butyl-N,N-dimethyl-4-(phosphanylidynemethyl)aniline

C17H26NP — CID 11231184

IUPAC3,5-ditert-butyl-N,N-dimethyl-4-(phosphanylidynemethyl)aniline
SMILESCN(C)c1cc(C(C)(C)C)c(C#P)c(C(C)(C)C)c1
InChIInChI=1S/C17H26NP/c1-16(2,3)14-9-12(18(7)8)10-15(13(14)11-19)17(4,5)6/h9-10H,1-8H3
InChIKeyKDRMLPYNMZNSQW-UHFFFAOYSA-N
MW275.38 g/mol
LogP5.07
Rot. Bonds1

About 3,5-ditert-butyl-N,N-dimethyl-4-(phosphanylidynemethyl)aniline

3,5-ditert-butyl-N,N-dimethyl-4-(phosphanylidynemethyl)aniline (PubChem CID 11231184) has the molecular formula C17H26NP and a molecular weight of 275.38 g/mol. Its IUPAC name is 3,5-ditert-butyl-N,N-dimethyl-4-(phosphanylidynemethyl)aniline.

Molecular Properties

Compound Name3,5-ditert-butyl-N,N-dimethyl-4-(phosphanylidynemethyl)aniline
PubChem CID11231184
Molecular FormulaC17H26NP
Molecular Weight275.38 g/mol
Exact Mass275.18
IUPAC Name3,5-ditert-butyl-N,N-dimethyl-4-(phosphanylidynemethyl)aniline
SMILESCN(C)c1cc(C(C)(C)C)c(C#P)c(C(C)(C)C)c1
InChIInChI=1S/C17H26NP/c1-16(2,3)14-9-12(18(7)8)10-15(13(14)11-19)17(4,5)6/h9-10H,1-8H3
InChIKeyKDRMLPYNMZNSQW-UHFFFAOYSA-N
XLogP5.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.38
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-N,N-dimethyl-4-(phosphanylidynemethyl)aniline?
The IUPAC name of 3,5-ditert-butyl-N,N-dimethyl-4-(phosphanylidynemethyl)aniline (CID 11231184) is 3,5-ditert-butyl-N,N-dimethyl-4-(phosphanylidynemethyl)aniline.
What is the SMILES notation for 3,5-ditert-butyl-N,N-dimethyl-4-(phosphanylidynemethyl)aniline?
The canonical SMILES for 3,5-ditert-butyl-N,N-dimethyl-4-(phosphanylidynemethyl)aniline is CN(C)c1cc(C(C)(C)C)c(C#P)c(C(C)(C)C)c1.
What is the InChIKey of 3,5-ditert-butyl-N,N-dimethyl-4-(phosphanylidynemethyl)aniline?
The InChIKey is KDRMLPYNMZNSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26NP/c1-16(2,3)14-9-12(18(7)8)10-15(13(14)11-19)17(4,5)6/h9-10H,1-8H3.
What are the key properties of 3,5-ditert-butyl-N,N-dimethyl-4-(phosphanylidynemethyl)aniline?
3,5-ditert-butyl-N,N-dimethyl-4-(phosphanylidynemethyl)aniline has a molecular weight of 275.38 g/mol, XLogP of 5.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-N,N-dimethyl-4-(phosphanylidynemethyl)aniline is sourced from PubChem (CID 11231184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).