N,N-bis[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-propan-2-yloxyethanamine

C19H43NO5P2 — CID 87357380

IUPACN,N-bis[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-propan-2-yloxyethanamine
SMILESCOC(CCPCCN(CCOC(C)C)CCPCCC(OC)OC)OC
InChIInChI=1S/C19H43NO5P2/c1-17(2)25-12-9-20(10-15-26-13-7-18(21-3)22-4)11-16-27-14-8-19(23-5)24-6/h17-19,26-27H,7-16H2,1-6H3
InChIKeyGEMQHYHSGBJJNX-UHFFFAOYSA-N
MW427.50 g/mol
LogP3.09
Rot. Bonds20

About N,N-bis[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-propan-2-yloxyethanamine

N,N-bis[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-propan-2-yloxyethanamine (PubChem CID 87357380) has the molecular formula C19H43NO5P2 and a molecular weight of 427.50 g/mol. Its IUPAC name is N,N-bis[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-propan-2-yloxyethanamine.

Molecular Properties

Compound NameN,N-bis[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-propan-2-yloxyethanamine
PubChem CID87357380
Molecular FormulaC19H43NO5P2
Molecular Weight427.50 g/mol
Exact Mass427.26
IUPAC NameN,N-bis[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-propan-2-yloxyethanamine
SMILESCOC(CCPCCN(CCOC(C)C)CCPCCC(OC)OC)OC
InChIInChI=1S/C19H43NO5P2/c1-17(2)25-12-9-20(10-15-26-13-7-18(21-3)22-4)11-16-27-14-8-19(23-5)24-6/h17-19,26-27H,7-16H2,1-6H3
InChIKeyGEMQHYHSGBJJNX-UHFFFAOYSA-N
XLogP3.09
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-propan-2-yloxyethanamine?
The IUPAC name of N,N-bis[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-propan-2-yloxyethanamine (CID 87357380) is N,N-bis[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-propan-2-yloxyethanamine.
What is the SMILES notation for N,N-bis[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-propan-2-yloxyethanamine?
The canonical SMILES for N,N-bis[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-propan-2-yloxyethanamine is COC(CCPCCN(CCOC(C)C)CCPCCC(OC)OC)OC.
What is the InChIKey of N,N-bis[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-propan-2-yloxyethanamine?
The InChIKey is GEMQHYHSGBJJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H43NO5P2/c1-17(2)25-12-9-20(10-15-26-13-7-18(21-3)22-4)11-16-27-14-8-19(23-5)24-6/h17-19,26-27H,7-16H2,1-6H3.
What are the key properties of N,N-bis[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-propan-2-yloxyethanamine?
N,N-bis[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-propan-2-yloxyethanamine has a molecular weight of 427.50 g/mol, XLogP of 3.09, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-propan-2-yloxyethanamine is sourced from PubChem (CID 87357380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).