2,4-bis(1,1-dimethoxypropylphosphanyl)-3-(ethoxymethyl)pentan-3-amine

C18H41NO5P2 — CID 87513100

IUPAC2,4-bis(1,1-dimethoxypropylphosphanyl)-3-(ethoxymethyl)pentan-3-amine
SMILESCCOCC(N)(C(C)PC(CC)(OC)OC)C(C)PC(CC)(OC)OC
InChIInChI=1S/C18H41NO5P2/c1-10-17(20-6,21-7)25-14(4)16(19,13-24-12-3)15(5)26-18(11-2,22-8)23-9/h14-15,25-26H,10-13,19H2,1-9H3
InChIKeyCLSOTBUYYNFXKN-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.57
Rot. Bonds15

About 2,4-bis(1,1-dimethoxypropylphosphanyl)-3-(ethoxymethyl)pentan-3-amine

2,4-bis(1,1-dimethoxypropylphosphanyl)-3-(ethoxymethyl)pentan-3-amine (PubChem CID 87513100) has the molecular formula C18H41NO5P2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2,4-bis(1,1-dimethoxypropylphosphanyl)-3-(ethoxymethyl)pentan-3-amine.

Molecular Properties

Compound Name2,4-bis(1,1-dimethoxypropylphosphanyl)-3-(ethoxymethyl)pentan-3-amine
PubChem CID87513100
Molecular FormulaC18H41NO5P2
Molecular Weight413.48 g/mol
Exact Mass413.25
IUPAC Name2,4-bis(1,1-dimethoxypropylphosphanyl)-3-(ethoxymethyl)pentan-3-amine
SMILESCCOCC(N)(C(C)PC(CC)(OC)OC)C(C)PC(CC)(OC)OC
InChIInChI=1S/C18H41NO5P2/c1-10-17(20-6,21-7)25-14(4)16(19,13-24-12-3)15(5)26-18(11-2,22-8)23-9/h14-15,25-26H,10-13,19H2,1-9H3
InChIKeyCLSOTBUYYNFXKN-UHFFFAOYSA-N
XLogP3.57
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
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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Related Compounds

N,N-bis[1-(1,1-dimethoxypropylphosphanyl)ethyl]-1-ethoxypropan-1-amine
CID 87358090
3-ethoxy-1,1,1,2-tetrafluoro-2-methoxypropane
CID 58859573
3-ethyl-3-methoxy-2-methylpentane
CID 23384914
4,4-bis(ethoxymethyl)-2-methylhexane
CID 89107052
2-(ethoxymethyl)-3,3-dimethyl-2-propan-2-ylpentanoyl chloride
CID 87163132
3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-3-ethyl-2-methylpentane
CID 90397567
1,3-diethoxy-2-(ethoxymethyl)-N-propan-2-ylpropan-2-amine
CID 166780842
2-amino-2-(ethoxymethyl)propane-1,3-diol;tetrahydrochloride
CID 173373234
1-ethoxy-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propane
CID 123158943
ethoxyethane;methyl carbamate
CID 18755981
ethane;1-ethoxy-2,2-bis(methoxymethyl)butane;vanadium
CID 144965251
2-(ethoxymethyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 103984597

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(1,1-dimethoxypropylphosphanyl)-3-(ethoxymethyl)pentan-3-amine?
The IUPAC name of 2,4-bis(1,1-dimethoxypropylphosphanyl)-3-(ethoxymethyl)pentan-3-amine (CID 87513100) is 2,4-bis(1,1-dimethoxypropylphosphanyl)-3-(ethoxymethyl)pentan-3-amine.
What is the SMILES notation for 2,4-bis(1,1-dimethoxypropylphosphanyl)-3-(ethoxymethyl)pentan-3-amine?
The canonical SMILES for 2,4-bis(1,1-dimethoxypropylphosphanyl)-3-(ethoxymethyl)pentan-3-amine is CCOCC(N)(C(C)PC(CC)(OC)OC)C(C)PC(CC)(OC)OC.
What is the InChIKey of 2,4-bis(1,1-dimethoxypropylphosphanyl)-3-(ethoxymethyl)pentan-3-amine?
The InChIKey is CLSOTBUYYNFXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H41NO5P2/c1-10-17(20-6,21-7)25-14(4)16(19,13-24-12-3)15(5)26-18(11-2,22-8)23-9/h14-15,25-26H,10-13,19H2,1-9H3.
What are the key properties of 2,4-bis(1,1-dimethoxypropylphosphanyl)-3-(ethoxymethyl)pentan-3-amine?
2,4-bis(1,1-dimethoxypropylphosphanyl)-3-(ethoxymethyl)pentan-3-amine has a molecular weight of 413.48 g/mol, XLogP of 3.57, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(1,1-dimethoxypropylphosphanyl)-3-(ethoxymethyl)pentan-3-amine is sourced from PubChem (CID 87513100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).