[2-cyanoethyl-[di(propan-2-yl)amino]amino]-[di(propan-2-yl)amino]-dihydroxyphosphanium

C15H34N4O2P+ — CID 87733562

IUPAC[2-cyanoethyl-[di(propan-2-yl)amino]amino]-[di(propan-2-yl)amino]-dihydroxyphosphanium
SMILESCC(C)N(C(C)C)N(CCC#N)[P+](O)(O)N(C(C)C)C(C)C
InChIInChI=1S/C15H34N4O2P/c1-12(2)18(13(3)4)17(11-9-10-16)22(20,21)19(14(5)6)15(7)8/h12-15,20-21H,9,11H2,1-8H3/q+1
InChIKeyCSDSXRGSXCDXPZ-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.02
Rot. Bonds9

About [2-cyanoethyl-[di(propan-2-yl)amino]amino]-[di(propan-2-yl)amino]-dihydroxyphosphanium

[2-cyanoethyl-[di(propan-2-yl)amino]amino]-[di(propan-2-yl)amino]-dihydroxyphosphanium (PubChem CID 87733562) has the molecular formula C15H34N4O2P+ and a molecular weight of 333.44 g/mol. Its IUPAC name is [2-cyanoethyl-[di(propan-2-yl)amino]amino]-[di(propan-2-yl)amino]-dihydroxyphosphanium.

Molecular Properties

Compound Name[2-cyanoethyl-[di(propan-2-yl)amino]amino]-[di(propan-2-yl)amino]-dihydroxyphosphanium
PubChem CID87733562
Molecular FormulaC15H34N4O2P+
Molecular Weight333.44 g/mol
Exact Mass333.24
IUPAC Name[2-cyanoethyl-[di(propan-2-yl)amino]amino]-[di(propan-2-yl)amino]-dihydroxyphosphanium
SMILESCC(C)N(C(C)C)N(CCC#N)[P+](O)(O)N(C(C)C)C(C)C
InChIInChI=1S/C15H34N4O2P/c1-12(2)18(13(3)4)17(11-9-10-16)22(20,21)19(14(5)6)15(7)8/h12-15,20-21H,9,11H2,1-8H3/q+1
InChIKeyCSDSXRGSXCDXPZ-UHFFFAOYSA-N
XLogP3.02
TPSA73.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-cyanoethyl-[di(propan-2-yl)amino]amino]-[di(propan-2-yl)amino]-dihydroxyphosphanium?
The IUPAC name of [2-cyanoethyl-[di(propan-2-yl)amino]amino]-[di(propan-2-yl)amino]-dihydroxyphosphanium (CID 87733562) is [2-cyanoethyl-[di(propan-2-yl)amino]amino]-[di(propan-2-yl)amino]-dihydroxyphosphanium.
What is the SMILES notation for [2-cyanoethyl-[di(propan-2-yl)amino]amino]-[di(propan-2-yl)amino]-dihydroxyphosphanium?
The canonical SMILES for [2-cyanoethyl-[di(propan-2-yl)amino]amino]-[di(propan-2-yl)amino]-dihydroxyphosphanium is CC(C)N(C(C)C)N(CCC#N)[P+](O)(O)N(C(C)C)C(C)C.
What is the InChIKey of [2-cyanoethyl-[di(propan-2-yl)amino]amino]-[di(propan-2-yl)amino]-dihydroxyphosphanium?
The InChIKey is CSDSXRGSXCDXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N4O2P/c1-12(2)18(13(3)4)17(11-9-10-16)22(20,21)19(14(5)6)15(7)8/h12-15,20-21H,9,11H2,1-8H3/q+1.
What are the key properties of [2-cyanoethyl-[di(propan-2-yl)amino]amino]-[di(propan-2-yl)amino]-dihydroxyphosphanium?
[2-cyanoethyl-[di(propan-2-yl)amino]amino]-[di(propan-2-yl)amino]-dihydroxyphosphanium has a molecular weight of 333.44 g/mol, XLogP of 3.02, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyanoethyl-[di(propan-2-yl)amino]amino]-[di(propan-2-yl)amino]-dihydroxyphosphanium is sourced from PubChem (CID 87733562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).