5-(3,3-dipropoxypropylphosphanyl)-3-[2-(3,3-dipropoxypropylphosphanyl)ethyl]-3-propoxypentan-1-amine

C28H61NO5P2 — CID 87357497

IUPAC5-(3,3-dipropoxypropylphosphanyl)-3-[2-(3,3-dipropoxypropylphosphanyl)ethyl]-3-propoxypentan-1-amine
SMILESCCCOC(CCPCCC(CCN)(CCPCCC(OCCC)OCCC)OCCC)OCCC
InChIInChI=1S/C28H61NO5P2/c1-6-17-30-26(31-18-7-2)11-22-35-24-14-28(13-16-29,34-21-10-5)15-25-36-23-12-27(32-19-8-3)33-20-9-4/h26-27,35-36H,6-25,29H2,1-5H3
InChIKeyIFSQACQQICDRGD-UHFFFAOYSA-N
MW553.75 g/mol
LogP6.78
Rot. Bonds29

About 5-(3,3-dipropoxypropylphosphanyl)-3-[2-(3,3-dipropoxypropylphosphanyl)ethyl]-3-propoxypentan-1-amine

5-(3,3-dipropoxypropylphosphanyl)-3-[2-(3,3-dipropoxypropylphosphanyl)ethyl]-3-propoxypentan-1-amine (PubChem CID 87357497) has the molecular formula C28H61NO5P2 and a molecular weight of 553.75 g/mol. Its IUPAC name is 5-(3,3-dipropoxypropylphosphanyl)-3-[2-(3,3-dipropoxypropylphosphanyl)ethyl]-3-propoxypentan-1-amine.

Molecular Properties

Compound Name5-(3,3-dipropoxypropylphosphanyl)-3-[2-(3,3-dipropoxypropylphosphanyl)ethyl]-3-propoxypentan-1-amine
PubChem CID87357497
Molecular FormulaC28H61NO5P2
Molecular Weight553.75 g/mol
Exact Mass553.40
IUPAC Name5-(3,3-dipropoxypropylphosphanyl)-3-[2-(3,3-dipropoxypropylphosphanyl)ethyl]-3-propoxypentan-1-amine
SMILESCCCOC(CCPCCC(CCN)(CCPCCC(OCCC)OCCC)OCCC)OCCC
InChIInChI=1S/C28H61NO5P2/c1-6-17-30-26(31-18-7-2)11-22-35-24-14-28(13-16-29,34-21-10-5)15-25-36-23-12-27(32-19-8-3)33-20-9-4/h26-27,35-36H,6-25,29H2,1-5H3
InChIKeyIFSQACQQICDRGD-UHFFFAOYSA-N
XLogP6.78
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds29
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.75
LogP ≤ 56.78
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-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-Di(propan-2-yloxy)ethylphosphanyl]-3-[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-3-propoxypentan-1-amine
CID 87357326
5-(2,2-Dipropoxyethylphosphanyl)-3-[2-(2,2-dipropoxyethylphosphanyl)ethyl]-3-ethoxypentan-1-amine
CID 87357372
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-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

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dipropoxypropylphosphanyl)-3-[2-(3,3-dipropoxypropylphosphanyl)ethyl]-3-propoxypentan-1-amine?
The IUPAC name of 5-(3,3-dipropoxypropylphosphanyl)-3-[2-(3,3-dipropoxypropylphosphanyl)ethyl]-3-propoxypentan-1-amine (CID 87357497) is 5-(3,3-dipropoxypropylphosphanyl)-3-[2-(3,3-dipropoxypropylphosphanyl)ethyl]-3-propoxypentan-1-amine.
What is the SMILES notation for 5-(3,3-dipropoxypropylphosphanyl)-3-[2-(3,3-dipropoxypropylphosphanyl)ethyl]-3-propoxypentan-1-amine?
The canonical SMILES for 5-(3,3-dipropoxypropylphosphanyl)-3-[2-(3,3-dipropoxypropylphosphanyl)ethyl]-3-propoxypentan-1-amine is CCCOC(CCPCCC(CCN)(CCPCCC(OCCC)OCCC)OCCC)OCCC.
What is the InChIKey of 5-(3,3-dipropoxypropylphosphanyl)-3-[2-(3,3-dipropoxypropylphosphanyl)ethyl]-3-propoxypentan-1-amine?
The InChIKey is IFSQACQQICDRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H61NO5P2/c1-6-17-30-26(31-18-7-2)11-22-35-24-14-28(13-16-29,34-21-10-5)15-25-36-23-12-27(32-19-8-3)33-20-9-4/h26-27,35-36H,6-25,29H2,1-5H3.
What are the key properties of 5-(3,3-dipropoxypropylphosphanyl)-3-[2-(3,3-dipropoxypropylphosphanyl)ethyl]-3-propoxypentan-1-amine?
5-(3,3-dipropoxypropylphosphanyl)-3-[2-(3,3-dipropoxypropylphosphanyl)ethyl]-3-propoxypentan-1-amine has a molecular weight of 553.75 g/mol, XLogP of 6.78, 29 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dipropoxypropylphosphanyl)-3-[2-(3,3-dipropoxypropylphosphanyl)ethyl]-3-propoxypentan-1-amine is sourced from PubChem (CID 87357497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).