propan-2-yl-(tripyrrolidin-1-yl-λ5-phosphanylidene)azanium

C15H32N4P+ — CID 140866562

IUPACpropan-2-yl-(tripyrrolidin-1-yl-λ5-phosphanylidene)azanium
SMILESCC(C)[NH+]=P(N1CCCC1)(N1CCCC1)N1CCCC1
InChIInChI=1S/C15H31N4P/c1-15(2)16-20(17-9-3-4-10-17,18-11-5-6-12-18)19-13-7-8-14-19/h15H,3-14H2,1-2H3/p+1
InChIKeyWZSMEODMDAUZGW-UHFFFAOYSA-O
MW299.42 g/mol
LogP1.71
Rot. Bonds4

About propan-2-yl-(tripyrrolidin-1-yl-λ5-phosphanylidene)azanium

propan-2-yl-(tripyrrolidin-1-yl-λ5-phosphanylidene)azanium (PubChem CID 140866562) has the molecular formula C15H32N4P+ and a molecular weight of 299.42 g/mol. Its IUPAC name is propan-2-yl-(tripyrrolidin-1-yl-λ5-phosphanylidene)azanium.

Molecular Properties

Compound Namepropan-2-yl-(tripyrrolidin-1-yl-λ5-phosphanylidene)azanium
PubChem CID140866562
Molecular FormulaC15H32N4P+
Molecular Weight299.42 g/mol
Exact Mass299.24
IUPAC Namepropan-2-yl-(tripyrrolidin-1-yl-λ5-phosphanylidene)azanium
SMILESCC(C)[NH+]=P(N1CCCC1)(N1CCCC1)N1CCCC1
InChIInChI=1S/C15H31N4P/c1-15(2)16-20(17-9-3-4-10-17,18-11-5-6-12-18)19-13-7-8-14-19/h15H,3-14H2,1-2H3/p+1
InChIKeyWZSMEODMDAUZGW-UHFFFAOYSA-O
XLogP1.71
TPSA23.69 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-piperidin-1-yl-sulfanylidene-λ5-phosphane
CID 23415825
imino-tri(piperidin-1-yl)-λ5-phosphane
CID 12824542
(1Z)-N-di(propan-2-yl)phosphinothioylpyrrolidine-1-carboximidoselenoate
CID 139176810
ethane;1-propan-2-ylpyrrolidine
CID 167557798
2-methyl-1-[2-(2-methylpropanoyl)diazinan-1-yl]propan-1-one
CID 13148116
N-dipyrrolidin-1-ylphosphoryl-N-methylmethanamine
CID 23274141
ethane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 177140338
1-propan-2-ylpiperidine;hydrobromide
CID 44887258
1-(3-methylbut-2-en-2-yl)pyrrolidine
CID 15569618
pyrrolidin-1-ylphosphonic acid
CID 18956500
bis(cyclopentane);methane;tris(2-methylpropane);1-methylpyrrolidine
CID 164988773
(2S)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 51624584

Frequently Asked Questions

What is the IUPAC name of propan-2-yl-(tripyrrolidin-1-yl-λ5-phosphanylidene)azanium?
The IUPAC name of propan-2-yl-(tripyrrolidin-1-yl-λ5-phosphanylidene)azanium (CID 140866562) is propan-2-yl-(tripyrrolidin-1-yl-λ5-phosphanylidene)azanium.
What is the SMILES notation for propan-2-yl-(tripyrrolidin-1-yl-λ5-phosphanylidene)azanium?
The canonical SMILES for propan-2-yl-(tripyrrolidin-1-yl-λ5-phosphanylidene)azanium is CC(C)[NH+]=P(N1CCCC1)(N1CCCC1)N1CCCC1.
What is the InChIKey of propan-2-yl-(tripyrrolidin-1-yl-λ5-phosphanylidene)azanium?
The InChIKey is WZSMEODMDAUZGW-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H31N4P/c1-15(2)16-20(17-9-3-4-10-17,18-11-5-6-12-18)19-13-7-8-14-19/h15H,3-14H2,1-2H3/p+1.
What are the key properties of propan-2-yl-(tripyrrolidin-1-yl-λ5-phosphanylidene)azanium?
propan-2-yl-(tripyrrolidin-1-yl-λ5-phosphanylidene)azanium has a molecular weight of 299.42 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl-(tripyrrolidin-1-yl-λ5-phosphanylidene)azanium is sourced from PubChem (CID 140866562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).