N,N-bis[2-(1,1-dipropoxypropylphosphanyl)ethyl]-1-propoxypropan-1-amine

C28H61NO5P2 — CID 87357498

IUPACN,N-bis[2-(1,1-dipropoxypropylphosphanyl)ethyl]-1-propoxypropan-1-amine
SMILESCCCOC(CC)N(CCPC(CC)(OCCC)OCCC)CCPC(CC)(OCCC)OCCC
InChIInChI=1S/C28H61NO5P2/c1-9-19-30-26(14-6)29(17-24-35-27(15-7,31-20-10-2)32-21-11-3)18-25-36-28(16-8,33-22-12-4)34-23-13-5/h26,35-36H,9-25H2,1-8H3
InChIKeyYQIICFZDDCDIAR-UHFFFAOYSA-N
MW553.75 g/mol
LogP7.64
Rot. Bonds27

About N,N-bis[2-(1,1-dipropoxypropylphosphanyl)ethyl]-1-propoxypropan-1-amine

N,N-bis[2-(1,1-dipropoxypropylphosphanyl)ethyl]-1-propoxypropan-1-amine (PubChem CID 87357498) has the molecular formula C28H61NO5P2 and a molecular weight of 553.75 g/mol. Its IUPAC name is N,N-bis[2-(1,1-dipropoxypropylphosphanyl)ethyl]-1-propoxypropan-1-amine.

Molecular Properties

Compound NameN,N-bis[2-(1,1-dipropoxypropylphosphanyl)ethyl]-1-propoxypropan-1-amine
PubChem CID87357498
Molecular FormulaC28H61NO5P2
Molecular Weight553.75 g/mol
Exact Mass553.40
IUPAC NameN,N-bis[2-(1,1-dipropoxypropylphosphanyl)ethyl]-1-propoxypropan-1-amine
SMILESCCCOC(CC)N(CCPC(CC)(OCCC)OCCC)CCPC(CC)(OCCC)OCCC
InChIInChI=1S/C28H61NO5P2/c1-9-19-30-26(14-6)29(17-24-35-27(15-7,31-20-10-2)32-21-11-3)18-25-36-28(16-8,33-22-12-4)34-23-13-5/h26,35-36H,9-25H2,1-8H3
InChIKeyYQIICFZDDCDIAR-UHFFFAOYSA-N
XLogP7.64
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds27
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.75
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis[2-(1,1-diethoxyethylphosphanyl)ethyl]-1-propan-2-yloxypropan-1-amine
CID 87357861
N,N-bis[2-(1,1-dipropoxyethylphosphanyl)ethyl]-1-ethoxyethanamine
CID 87357464
2-[bis(2-hydroxyethyl)amino]-2-propoxyethanol
CID 141087616
3-ethyl-2,3-dipropoxypentane;propane-1,2-diol
CID 158196874
N,N-bis[1-(1,1-dimethoxypropylphosphanyl)ethyl]-1-ethoxypropan-1-amine
CID 87358090
1-dimethylalumanyloxy-N,N-dipropylpropan-1-amine
CID 139905355
N,N-diethyl-1-propoxyethanamine
CID 173093623
N,N-dimethyl-1-tetradecoxypropan-1-amine
CID 175405088
1-(1,1-dipropoxyethoxy)propane
CID 21433420
(2R,3R)-2,3-dipropoxybutane
CID 118445331
1,1-dichloro-1-propoxypropane
CID 87434594
1-propoxypropane-1-thiol
CID 57215222

Frequently Asked Questions

What is the IUPAC name of N,N-bis[2-(1,1-dipropoxypropylphosphanyl)ethyl]-1-propoxypropan-1-amine?
The IUPAC name of N,N-bis[2-(1,1-dipropoxypropylphosphanyl)ethyl]-1-propoxypropan-1-amine (CID 87357498) is N,N-bis[2-(1,1-dipropoxypropylphosphanyl)ethyl]-1-propoxypropan-1-amine.
What is the SMILES notation for N,N-bis[2-(1,1-dipropoxypropylphosphanyl)ethyl]-1-propoxypropan-1-amine?
The canonical SMILES for N,N-bis[2-(1,1-dipropoxypropylphosphanyl)ethyl]-1-propoxypropan-1-amine is CCCOC(CC)N(CCPC(CC)(OCCC)OCCC)CCPC(CC)(OCCC)OCCC.
What is the InChIKey of N,N-bis[2-(1,1-dipropoxypropylphosphanyl)ethyl]-1-propoxypropan-1-amine?
The InChIKey is YQIICFZDDCDIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H61NO5P2/c1-9-19-30-26(14-6)29(17-24-35-27(15-7,31-20-10-2)32-21-11-3)18-25-36-28(16-8,33-22-12-4)34-23-13-5/h26,35-36H,9-25H2,1-8H3.
What are the key properties of N,N-bis[2-(1,1-dipropoxypropylphosphanyl)ethyl]-1-propoxypropan-1-amine?
N,N-bis[2-(1,1-dipropoxypropylphosphanyl)ethyl]-1-propoxypropan-1-amine has a molecular weight of 553.75 g/mol, XLogP of 7.64, 27 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[2-(1,1-dipropoxypropylphosphanyl)ethyl]-1-propoxypropan-1-amine is sourced from PubChem (CID 87357498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).