5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-3-propan-2-yloxypentan-1-amine

C20H45NO5P2 — CID 87357595

IUPAC5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-3-propan-2-yloxypentan-1-amine
SMILESCOC(CCPCCC(CCN)(CCPCCC(OC)OC)OC(C)C)OC
InChIInChI=1S/C20H45NO5P2/c1-17(2)26-20(9-12-21,10-15-27-13-7-18(22-3)23-4)11-16-28-14-8-19(24-5)25-6/h17-19,27-28H,7-16,21H2,1-6H3
InChIKeyLPFOURZZPCJEOH-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.65
Rot. Bonds20

About 5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-3-propan-2-yloxypentan-1-amine

5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-3-propan-2-yloxypentan-1-amine (PubChem CID 87357595) has the molecular formula C20H45NO5P2 and a molecular weight of 441.53 g/mol. Its IUPAC name is 5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-3-propan-2-yloxypentan-1-amine.

Molecular Properties

Compound Name5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-3-propan-2-yloxypentan-1-amine
PubChem CID87357595
Molecular FormulaC20H45NO5P2
Molecular Weight441.53 g/mol
Exact Mass441.28
IUPAC Name5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-3-propan-2-yloxypentan-1-amine
SMILESCOC(CCPCCC(CCN)(CCPCCC(OC)OC)OC(C)C)OC
InChIInChI=1S/C20H45NO5P2/c1-17(2)26-20(9-12-21,10-15-27-13-7-18(22-3)23-4)11-16-28-14-8-19(24-5)25-6/h17-19,27-28H,7-16,21H2,1-6H3
InChIKeyLPFOURZZPCJEOH-UHFFFAOYSA-N
XLogP3.65
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.65
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-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-3-propan-2-yloxypentan-1-amine?
The IUPAC name of 5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-3-propan-2-yloxypentan-1-amine (CID 87357595) is 5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-3-propan-2-yloxypentan-1-amine.
What is the SMILES notation for 5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-3-propan-2-yloxypentan-1-amine?
The canonical SMILES for 5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-3-propan-2-yloxypentan-1-amine is COC(CCPCCC(CCN)(CCPCCC(OC)OC)OC(C)C)OC.
What is the InChIKey of 5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-3-propan-2-yloxypentan-1-amine?
The InChIKey is LPFOURZZPCJEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H45NO5P2/c1-17(2)26-20(9-12-21,10-15-27-13-7-18(22-3)23-4)11-16-28-14-8-19(24-5)25-6/h17-19,27-28H,7-16,21H2,1-6H3.
What are the key properties of 5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-3-propan-2-yloxypentan-1-amine?
5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-3-propan-2-yloxypentan-1-amine has a molecular weight of 441.53 g/mol, XLogP of 3.65, 20 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-3-propan-2-yloxypentan-1-amine is sourced from PubChem (CID 87357595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).