4-(3,3-dimethoxypropylphosphanyl)-2-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-propan-2-yloxybutan-1-amine

C19H43NO5P2 — CID 87357385

IUPAC4-(3,3-dimethoxypropylphosphanyl)-2-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-propan-2-yloxybutan-1-amine
SMILESCOC(CCPCCC(CN)(CCPCCC(OC)OC)OC(C)C)OC
InChIInChI=1S/C19H43NO5P2/c1-16(2)25-19(15-20,9-13-26-11-7-17(21-3)22-4)10-14-27-12-8-18(23-5)24-6/h16-18,26-27H,7-15,20H2,1-6H3
InChIKeyFTFBGDMCQLWVPC-UHFFFAOYSA-N
MW427.50 g/mol
LogP3.26
Rot. Bonds19

About 4-(3,3-dimethoxypropylphosphanyl)-2-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-propan-2-yloxybutan-1-amine

4-(3,3-dimethoxypropylphosphanyl)-2-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-propan-2-yloxybutan-1-amine (PubChem CID 87357385) has the molecular formula C19H43NO5P2 and a molecular weight of 427.50 g/mol. Its IUPAC name is 4-(3,3-dimethoxypropylphosphanyl)-2-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-propan-2-yloxybutan-1-amine.

Molecular Properties

Compound Name4-(3,3-dimethoxypropylphosphanyl)-2-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-propan-2-yloxybutan-1-amine
PubChem CID87357385
Molecular FormulaC19H43NO5P2
Molecular Weight427.50 g/mol
Exact Mass427.26
IUPAC Name4-(3,3-dimethoxypropylphosphanyl)-2-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-propan-2-yloxybutan-1-amine
SMILESCOC(CCPCCC(CN)(CCPCCC(OC)OC)OC(C)C)OC
InChIInChI=1S/C19H43NO5P2/c1-16(2)25-19(15-20,9-13-26-11-7-17(21-3)22-4)10-14-27-12-8-18(23-5)24-6/h16-18,26-27H,7-15,20H2,1-6H3
InChIKeyFTFBGDMCQLWVPC-UHFFFAOYSA-N
XLogP3.26
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.26
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
2-[1,5-Bis(3,3-dimethoxypropylphosphanyl)pentan-3-yloxy]ethanamine
CID 57062511
4-(2,2-Diethoxyethylphosphanyl)-2-[2-(2,2-diethoxyethylphosphanyl)ethyl]butan-1-amine
CID 57278243
2-[1,5-Bis(2,2-diethoxyethylphosphanyl)pentan-3-yloxy]ethanamine
CID 57321941
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
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
4-(2,2-Dimethoxyethylphosphanyl)-2-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-2-ethoxybutan-1-amine
CID 87357459

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethoxypropylphosphanyl)-2-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-propan-2-yloxybutan-1-amine?
The IUPAC name of 4-(3,3-dimethoxypropylphosphanyl)-2-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-propan-2-yloxybutan-1-amine (CID 87357385) is 4-(3,3-dimethoxypropylphosphanyl)-2-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-propan-2-yloxybutan-1-amine.
What is the SMILES notation for 4-(3,3-dimethoxypropylphosphanyl)-2-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-propan-2-yloxybutan-1-amine?
The canonical SMILES for 4-(3,3-dimethoxypropylphosphanyl)-2-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-propan-2-yloxybutan-1-amine is COC(CCPCCC(CN)(CCPCCC(OC)OC)OC(C)C)OC.
What is the InChIKey of 4-(3,3-dimethoxypropylphosphanyl)-2-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-propan-2-yloxybutan-1-amine?
The InChIKey is FTFBGDMCQLWVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H43NO5P2/c1-16(2)25-19(15-20,9-13-26-11-7-17(21-3)22-4)10-14-27-12-8-18(23-5)24-6/h16-18,26-27H,7-15,20H2,1-6H3.
What are the key properties of 4-(3,3-dimethoxypropylphosphanyl)-2-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-propan-2-yloxybutan-1-amine?
4-(3,3-dimethoxypropylphosphanyl)-2-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-propan-2-yloxybutan-1-amine has a molecular weight of 427.50 g/mol, XLogP of 3.26, 19 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethoxypropylphosphanyl)-2-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-propan-2-yloxybutan-1-amine is sourced from PubChem (CID 87357385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).