(Z)-N,N'-ditert-butyl-N'-[2-[tert-butyl-[(Z)-2-(tert-butylamino)ethenyl]amino]diphosphanyl]ethene-1,2-diamine

C20H44N4P2 — CID 145320928

IUPAC(Z)-N,N'-ditert-butyl-N'-[2-[tert-butyl-[(Z)-2-(tert-butylamino)ethenyl]amino]diphosphanyl]ethene-1,2-diamine
SMILESCC(C)(C)N/C=C\N(PPN(/C=C\NC(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C20H44N4P2/c1-17(2,3)21-13-15-23(19(7,8)9)25-26-24(20(10,11)12)16-14-22-18(4,5)6/h13-16,21-22,25-26H,1-12H3/b15-13-,16-14-
InChIKeyZEJOUYJLZLEIFA-VMNXYWKNSA-N
MW402.55 g/mol
LogP6.01
Rot. Bonds7

About (Z)-N,N'-ditert-butyl-N'-[2-[tert-butyl-[(Z)-2-(tert-butylamino)ethenyl]amino]diphosphanyl]ethene-1,2-diamine

(Z)-N,N'-ditert-butyl-N'-[2-[tert-butyl-[(Z)-2-(tert-butylamino)ethenyl]amino]diphosphanyl]ethene-1,2-diamine (PubChem CID 145320928) has the molecular formula C20H44N4P2 and a molecular weight of 402.55 g/mol. Its IUPAC name is (Z)-N,N'-ditert-butyl-N'-[2-[tert-butyl-[(Z)-2-(tert-butylamino)ethenyl]amino]diphosphanyl]ethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-N,N'-ditert-butyl-N'-[2-[tert-butyl-[(Z)-2-(tert-butylamino)ethenyl]amino]diphosphanyl]ethene-1,2-diamine
PubChem CID145320928
Molecular FormulaC20H44N4P2
Molecular Weight402.55 g/mol
Exact Mass402.30
IUPAC Name(Z)-N,N'-ditert-butyl-N'-[2-[tert-butyl-[(Z)-2-(tert-butylamino)ethenyl]amino]diphosphanyl]ethene-1,2-diamine
SMILESCC(C)(C)N/C=C\N(PPN(/C=C\NC(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C20H44N4P2/c1-17(2,3)21-13-15-23(19(7,8)9)25-26-24(20(10,11)12)16-14-22-18(4,5)6/h13-16,21-22,25-26H,1-12H3/b15-13-,16-14-
InChIKeyZEJOUYJLZLEIFA-VMNXYWKNSA-N
XLogP6.01
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.55
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,N'-ditert-butyl-N'-[2-[tert-butyl-[(Z)-2-(tert-butylamino)ethenyl]amino]diphosphanyl]ethene-1,2-diamine?
The IUPAC name of (Z)-N,N'-ditert-butyl-N'-[2-[tert-butyl-[(Z)-2-(tert-butylamino)ethenyl]amino]diphosphanyl]ethene-1,2-diamine (CID 145320928) is (Z)-N,N'-ditert-butyl-N'-[2-[tert-butyl-[(Z)-2-(tert-butylamino)ethenyl]amino]diphosphanyl]ethene-1,2-diamine.
What is the SMILES notation for (Z)-N,N'-ditert-butyl-N'-[2-[tert-butyl-[(Z)-2-(tert-butylamino)ethenyl]amino]diphosphanyl]ethene-1,2-diamine?
The canonical SMILES for (Z)-N,N'-ditert-butyl-N'-[2-[tert-butyl-[(Z)-2-(tert-butylamino)ethenyl]amino]diphosphanyl]ethene-1,2-diamine is CC(C)(C)N/C=C\N(PPN(/C=C\NC(C)(C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (Z)-N,N'-ditert-butyl-N'-[2-[tert-butyl-[(Z)-2-(tert-butylamino)ethenyl]amino]diphosphanyl]ethene-1,2-diamine?
The InChIKey is ZEJOUYJLZLEIFA-VMNXYWKNSA-N. The full InChI is InChI=1S/C20H44N4P2/c1-17(2,3)21-13-15-23(19(7,8)9)25-26-24(20(10,11)12)16-14-22-18(4,5)6/h13-16,21-22,25-26H,1-12H3/b15-13-,16-14-.
What are the key properties of (Z)-N,N'-ditert-butyl-N'-[2-[tert-butyl-[(Z)-2-(tert-butylamino)ethenyl]amino]diphosphanyl]ethene-1,2-diamine?
(Z)-N,N'-ditert-butyl-N'-[2-[tert-butyl-[(Z)-2-(tert-butylamino)ethenyl]amino]diphosphanyl]ethene-1,2-diamine has a molecular weight of 402.55 g/mol, XLogP of 6.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N'-ditert-butyl-N'-[2-[tert-butyl-[(Z)-2-(tert-butylamino)ethenyl]amino]diphosphanyl]ethene-1,2-diamine is sourced from PubChem (CID 145320928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).