tert-butylimino-tri(piperidin-1-yl)-λ5-phosphane

C19H39N4P — CID 71613810

IUPACtert-butylimino-tri(piperidin-1-yl)-λ5-phosphane
SMILESCC(C)(C)N=P(N1CCCCC1)(N1CCCCC1)N1CCCCC1
InChIInChI=1S/C19H39N4P/c1-19(2,3)20-24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18H2,1-3H3
InChIKeyUPLGBBCJTHSUQF-UHFFFAOYSA-N
MW354.52 g/mol
LogP5.19
Rot. Bonds3

About tert-butylimino-tri(piperidin-1-yl)-λ5-phosphane

tert-butylimino-tri(piperidin-1-yl)-λ5-phosphane (PubChem CID 71613810) has the molecular formula C19H39N4P and a molecular weight of 354.52 g/mol. Its IUPAC name is tert-butylimino-tri(piperidin-1-yl)-λ5-phosphane.

Molecular Properties

Compound Nametert-butylimino-tri(piperidin-1-yl)-λ5-phosphane
PubChem CID71613810
Molecular FormulaC19H39N4P
Molecular Weight354.52 g/mol
Exact Mass354.29
IUPAC Nametert-butylimino-tri(piperidin-1-yl)-λ5-phosphane
SMILESCC(C)(C)N=P(N1CCCCC1)(N1CCCCC1)N1CCCCC1
InChIInChI=1S/C19H39N4P/c1-19(2,3)20-24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18H2,1-3H3
InChIKeyUPLGBBCJTHSUQF-UHFFFAOYSA-N
XLogP5.19
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.52
LogP ≤ 55.19
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 tert-butylimino-tri(piperidin-1-yl)-λ5-phosphane?
The IUPAC name of tert-butylimino-tri(piperidin-1-yl)-λ5-phosphane (CID 71613810) is tert-butylimino-tri(piperidin-1-yl)-λ5-phosphane.
What is the SMILES notation for tert-butylimino-tri(piperidin-1-yl)-λ5-phosphane?
The canonical SMILES for tert-butylimino-tri(piperidin-1-yl)-λ5-phosphane is CC(C)(C)N=P(N1CCCCC1)(N1CCCCC1)N1CCCCC1.
What is the InChIKey of tert-butylimino-tri(piperidin-1-yl)-λ5-phosphane?
The InChIKey is UPLGBBCJTHSUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N4P/c1-19(2,3)20-24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18H2,1-3H3.
What are the key properties of tert-butylimino-tri(piperidin-1-yl)-λ5-phosphane?
tert-butylimino-tri(piperidin-1-yl)-λ5-phosphane has a molecular weight of 354.52 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylimino-tri(piperidin-1-yl)-λ5-phosphane is sourced from PubChem (CID 71613810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).