(dipyrrolidin-1-ylmethylideneamino)-methylphosphinate

C10H19N3O2P- — CID 161114274

IUPAC(dipyrrolidin-1-ylmethylideneamino)-methylphosphinate
SMILESCP(=O)([O-])N=C(N1CCCC1)N1CCCC1
InChIInChI=1S/C10H20N3O2P/c1-16(14,15)11-10(12-6-2-3-7-12)13-8-4-5-9-13/h2-9H2,1H3,(H,14,15)/p-1
InChIKeyUKCKWZCQALWCMA-UHFFFAOYSA-M
MW244.25 g/mol
LogP0.72
Rot. Bonds1

About (dipyrrolidin-1-ylmethylideneamino)-methylphosphinate

(dipyrrolidin-1-ylmethylideneamino)-methylphosphinate (PubChem CID 161114274) has the molecular formula C10H19N3O2P- and a molecular weight of 244.25 g/mol. Its IUPAC name is (dipyrrolidin-1-ylmethylideneamino)-methylphosphinate.

Molecular Properties

Compound Name(dipyrrolidin-1-ylmethylideneamino)-methylphosphinate
PubChem CID161114274
Molecular FormulaC10H19N3O2P-
Molecular Weight244.25 g/mol
Exact Mass244.12
IUPAC Name(dipyrrolidin-1-ylmethylideneamino)-methylphosphinate
SMILESCP(=O)([O-])N=C(N1CCCC1)N1CCCC1
InChIInChI=1S/C10H20N3O2P/c1-16(14,15)11-10(12-6-2-3-7-12)13-8-4-5-9-13/h2-9H2,1H3,(H,14,15)/p-1
InChIKeyUKCKWZCQALWCMA-UHFFFAOYSA-M
XLogP0.72
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-1,1-dipyrrolidin-1-ylmethanimine
CID 165163690
ethene;1-pyrrolidin-1-ylethanone
CID 155736333
1,1-bis(azetidin-1-yl)-N-methylmethanimine
CID 166858642
(E)-methyl-oxido-(pyrrolidine-1-carbonylimino)azanium
CID 90470907
2-(ethylideneamino)-1-piperidin-1-ylethanone
CID 156723725
N-phosphonatopyrrolidin-1-amine
CID 22321127
dipyrrolidin-1-ylmethylidenecyanamide
CID 101164131
ethane;N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine
CID 176964319
1-prop-1-en-2-ylpiperidine
CID 12570653
1,2-di(piperidin-1-yl)ethene-1,2-diol
CID 15970102
N,2,2-trimethyl-1-pyrrolidin-1-ylpropan-1-imine
CID 58320086
1-(azepan-1-yl)-2-methylprop-2-en-1-one
CID 22146478

Frequently Asked Questions

What is the IUPAC name of (dipyrrolidin-1-ylmethylideneamino)-methylphosphinate?
The IUPAC name of (dipyrrolidin-1-ylmethylideneamino)-methylphosphinate (CID 161114274) is (dipyrrolidin-1-ylmethylideneamino)-methylphosphinate.
What is the SMILES notation for (dipyrrolidin-1-ylmethylideneamino)-methylphosphinate?
The canonical SMILES for (dipyrrolidin-1-ylmethylideneamino)-methylphosphinate is CP(=O)([O-])N=C(N1CCCC1)N1CCCC1.
What is the InChIKey of (dipyrrolidin-1-ylmethylideneamino)-methylphosphinate?
The InChIKey is UKCKWZCQALWCMA-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H20N3O2P/c1-16(14,15)11-10(12-6-2-3-7-12)13-8-4-5-9-13/h2-9H2,1H3,(H,14,15)/p-1.
What are the key properties of (dipyrrolidin-1-ylmethylideneamino)-methylphosphinate?
(dipyrrolidin-1-ylmethylideneamino)-methylphosphinate has a molecular weight of 244.25 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (dipyrrolidin-1-ylmethylideneamino)-methylphosphinate is sourced from PubChem (CID 161114274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).