N,N-bis[2-[1,1-di(propan-2-yloxy)ethylphosphanyl]ethyl]-1-propoxypropan-1-amine

C26H57NO5P2 — CID 87357330

IUPACN,N-bis[2-[1,1-di(propan-2-yloxy)ethylphosphanyl]ethyl]-1-propoxypropan-1-amine
SMILESCCCOC(CC)N(CCPC(C)(OC(C)C)OC(C)C)CCPC(C)(OC(C)C)OC(C)C
InChIInChI=1S/C26H57NO5P2/c1-13-17-28-24(14-2)27(15-18-33-25(11,29-20(3)4)30-21(5)6)16-19-34-26(12,31-22(7)8)32-23(9)10/h20-24,33-34H,13-19H2,1-12H3
InChIKeyPAOZSMQTUIJWDW-UHFFFAOYSA-N
MW525.69 g/mol
LogP6.86
Rot. Bonds21

About N,N-bis[2-[1,1-di(propan-2-yloxy)ethylphosphanyl]ethyl]-1-propoxypropan-1-amine

N,N-bis[2-[1,1-di(propan-2-yloxy)ethylphosphanyl]ethyl]-1-propoxypropan-1-amine (PubChem CID 87357330) has the molecular formula C26H57NO5P2 and a molecular weight of 525.69 g/mol. Its IUPAC name is N,N-bis[2-[1,1-di(propan-2-yloxy)ethylphosphanyl]ethyl]-1-propoxypropan-1-amine.

Molecular Properties

Compound NameN,N-bis[2-[1,1-di(propan-2-yloxy)ethylphosphanyl]ethyl]-1-propoxypropan-1-amine
PubChem CID87357330
Molecular FormulaC26H57NO5P2
Molecular Weight525.69 g/mol
Exact Mass525.37
IUPAC NameN,N-bis[2-[1,1-di(propan-2-yloxy)ethylphosphanyl]ethyl]-1-propoxypropan-1-amine
SMILESCCCOC(CC)N(CCPC(C)(OC(C)C)OC(C)C)CCPC(C)(OC(C)C)OC(C)C
InChIInChI=1S/C26H57NO5P2/c1-13-17-28-24(14-2)27(15-18-33-25(11,29-20(3)4)30-21(5)6)16-19-34-26(12,31-22(7)8)32-23(9)10/h20-24,33-34H,13-19H2,1-12H3
InChIKeyPAOZSMQTUIJWDW-UHFFFAOYSA-N
XLogP6.86
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.69
LogP ≤ 56.86
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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Frequently Asked Questions

What is the IUPAC name of N,N-bis[2-[1,1-di(propan-2-yloxy)ethylphosphanyl]ethyl]-1-propoxypropan-1-amine?
The IUPAC name of N,N-bis[2-[1,1-di(propan-2-yloxy)ethylphosphanyl]ethyl]-1-propoxypropan-1-amine (CID 87357330) is N,N-bis[2-[1,1-di(propan-2-yloxy)ethylphosphanyl]ethyl]-1-propoxypropan-1-amine.
What is the SMILES notation for N,N-bis[2-[1,1-di(propan-2-yloxy)ethylphosphanyl]ethyl]-1-propoxypropan-1-amine?
The canonical SMILES for N,N-bis[2-[1,1-di(propan-2-yloxy)ethylphosphanyl]ethyl]-1-propoxypropan-1-amine is CCCOC(CC)N(CCPC(C)(OC(C)C)OC(C)C)CCPC(C)(OC(C)C)OC(C)C.
What is the InChIKey of N,N-bis[2-[1,1-di(propan-2-yloxy)ethylphosphanyl]ethyl]-1-propoxypropan-1-amine?
The InChIKey is PAOZSMQTUIJWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H57NO5P2/c1-13-17-28-24(14-2)27(15-18-33-25(11,29-20(3)4)30-21(5)6)16-19-34-26(12,31-22(7)8)32-23(9)10/h20-24,33-34H,13-19H2,1-12H3.
What are the key properties of N,N-bis[2-[1,1-di(propan-2-yloxy)ethylphosphanyl]ethyl]-1-propoxypropan-1-amine?
N,N-bis[2-[1,1-di(propan-2-yloxy)ethylphosphanyl]ethyl]-1-propoxypropan-1-amine has a molecular weight of 525.69 g/mol, XLogP of 6.86, 21 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-di(propan-2-yloxy)ethylphosphanyl]ethyl]-1-propoxypropan-1-amine is sourced from PubChem (CID 87357330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).