5-[2,2-di(propan-2-yloxy)ethylphosphanyl]-3-[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-3-propoxypentan-1-amine

C26H57NO5P2 — CID 87357326

IUPAC5-[2,2-di(propan-2-yloxy)ethylphosphanyl]-3-[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-3-propoxypentan-1-amine
SMILESCCCOC(CCN)(CCPCC(OC(C)C)OC(C)C)CCPCC(OC(C)C)OC(C)C
InChIInChI=1S/C26H57NO5P2/c1-10-15-28-26(11-14-27,12-16-33-18-24(29-20(2)3)30-21(4)5)13-17-34-19-25(31-22(6)7)32-23(8)9/h20-25,33-34H,10-19,27H2,1-9H3
InChIKeyVSHSHKWOJUTGML-UHFFFAOYSA-N
MW525.69 g/mol
LogP5.99
Rot. Bonds23

About 5-[2,2-di(propan-2-yloxy)ethylphosphanyl]-3-[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-3-propoxypentan-1-amine

5-[2,2-di(propan-2-yloxy)ethylphosphanyl]-3-[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-3-propoxypentan-1-amine (PubChem CID 87357326) has the molecular formula C26H57NO5P2 and a molecular weight of 525.69 g/mol. Its IUPAC name is 5-[2,2-di(propan-2-yloxy)ethylphosphanyl]-3-[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-3-propoxypentan-1-amine.

Molecular Properties

Compound Name5-[2,2-di(propan-2-yloxy)ethylphosphanyl]-3-[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-3-propoxypentan-1-amine
PubChem CID87357326
Molecular FormulaC26H57NO5P2
Molecular Weight525.69 g/mol
Exact Mass525.37
IUPAC Name5-[2,2-di(propan-2-yloxy)ethylphosphanyl]-3-[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-3-propoxypentan-1-amine
SMILESCCCOC(CCN)(CCPCC(OC(C)C)OC(C)C)CCPCC(OC(C)C)OC(C)C
InChIInChI=1S/C26H57NO5P2/c1-10-15-28-26(11-14-27,12-16-33-18-24(29-20(2)3)30-21(4)5)13-17-34-19-25(31-22(6)7)32-23(8)9/h20-25,33-34H,10-19,27H2,1-9H3
InChIKeyVSHSHKWOJUTGML-UHFFFAOYSA-N
XLogP5.99
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.69
LogP ≤ 55.99
H-Bond Donors ≤ 51
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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Related Compounds

4-(3,3-Diethoxypropylphosphanyl)-2-[2-(3,3-diethoxypropylphosphanyl)ethyl]-2-methoxybutan-1-amine
CID 87357376
4-(3,3-Dimethoxypropylphosphanyl)-2-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-methoxybutan-1-amine
CID 56974933
4-(3,3-Dimethoxypropylphosphanyl)-2-[2-(3,3-dimethoxypropylphosphanyl)ethyl]butan-1-amine
CID 57034476
5-(3,3-Dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]pentan-1-amine
CID 57063234
4-(2,2-Diethoxyethylphosphanyl)-2-[2-(2,2-diethoxyethylphosphanyl)ethyl]butan-1-amine
CID 57278243
5-(2,2-Diethoxyethylphosphanyl)-3-[2-(2,2-diethoxyethylphosphanyl)ethyl]pentan-1-amine
CID 57290809
4-(2,2-Diethoxyethylphosphanyl)-2-[2-(2,2-diethoxyethylphosphanyl)ethyl]-2-propan-2-yloxybutan-1-amine
CID 87357049
4-(3,3-Dipropoxypropylphosphanyl)-2-[2-(3,3-dipropoxypropylphosphanyl)ethyl]-2-ethoxybutan-1-amine
CID 87357203
5-(2,2-Dipropoxyethylphosphanyl)-3-[2-(2,2-dipropoxyethylphosphanyl)ethyl]-3-ethoxypentan-1-amine
CID 87357372
4-(3,3-Dimethoxypropylphosphanyl)-2-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-propan-2-yloxybutan-1-amine
CID 87357385
5-[2,2-Di(propan-2-yloxy)ethylphosphanyl]-3-[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-3-ethoxypentan-1-amine
CID 87357387
5-(2,2-Dimethoxyethylphosphanyl)-3-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-3-propan-2-yloxypentan-1-amine
CID 87357444

Frequently Asked Questions

What is the IUPAC name of 5-[2,2-di(propan-2-yloxy)ethylphosphanyl]-3-[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-3-propoxypentan-1-amine?
The IUPAC name of 5-[2,2-di(propan-2-yloxy)ethylphosphanyl]-3-[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-3-propoxypentan-1-amine (CID 87357326) is 5-[2,2-di(propan-2-yloxy)ethylphosphanyl]-3-[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-3-propoxypentan-1-amine.
What is the SMILES notation for 5-[2,2-di(propan-2-yloxy)ethylphosphanyl]-3-[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-3-propoxypentan-1-amine?
The canonical SMILES for 5-[2,2-di(propan-2-yloxy)ethylphosphanyl]-3-[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-3-propoxypentan-1-amine is CCCOC(CCN)(CCPCC(OC(C)C)OC(C)C)CCPCC(OC(C)C)OC(C)C.
What is the InChIKey of 5-[2,2-di(propan-2-yloxy)ethylphosphanyl]-3-[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-3-propoxypentan-1-amine?
The InChIKey is VSHSHKWOJUTGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H57NO5P2/c1-10-15-28-26(11-14-27,12-16-33-18-24(29-20(2)3)30-21(4)5)13-17-34-19-25(31-22(6)7)32-23(8)9/h20-25,33-34H,10-19,27H2,1-9H3.
What are the key properties of 5-[2,2-di(propan-2-yloxy)ethylphosphanyl]-3-[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-3-propoxypentan-1-amine?
5-[2,2-di(propan-2-yloxy)ethylphosphanyl]-3-[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-3-propoxypentan-1-amine has a molecular weight of 525.69 g/mol, XLogP of 5.99, 23 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,2-di(propan-2-yloxy)ethylphosphanyl]-3-[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-3-propoxypentan-1-amine is sourced from PubChem (CID 87357326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).