4-(2,2-diethoxyethylphosphanyl)-2-[2-(2,2-diethoxyethylphosphanyl)ethyl]butan-1-amine

C18H41NO4P2 — CID 57278243

IUPAC4-(2,2-diethoxyethylphosphanyl)-2-[2-(2,2-diethoxyethylphosphanyl)ethyl]butan-1-amine
SMILESCCOC(CPCCC(CN)CCPCC(OCC)OCC)OCC
InChIInChI=1S/C18H41NO4P2/c1-5-20-17(21-6-2)14-24-11-9-16(13-19)10-12-25-15-18(22-7-3)23-8-4/h16-18,24-25H,5-15,19H2,1-4H3
InChIKeyACROMABCDUUBHK-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.50
Rot. Bonds19

About 4-(2,2-diethoxyethylphosphanyl)-2-[2-(2,2-diethoxyethylphosphanyl)ethyl]butan-1-amine

4-(2,2-diethoxyethylphosphanyl)-2-[2-(2,2-diethoxyethylphosphanyl)ethyl]butan-1-amine (PubChem CID 57278243) has the molecular formula C18H41NO4P2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 4-(2,2-diethoxyethylphosphanyl)-2-[2-(2,2-diethoxyethylphosphanyl)ethyl]butan-1-amine.

Molecular Properties

Compound Name4-(2,2-diethoxyethylphosphanyl)-2-[2-(2,2-diethoxyethylphosphanyl)ethyl]butan-1-amine
PubChem CID57278243
Molecular FormulaC18H41NO4P2
Molecular Weight397.48 g/mol
Exact Mass397.25
IUPAC Name4-(2,2-diethoxyethylphosphanyl)-2-[2-(2,2-diethoxyethylphosphanyl)ethyl]butan-1-amine
SMILESCCOC(CPCCC(CN)CCPCC(OCC)OCC)OCC
InChIInChI=1S/C18H41NO4P2/c1-5-20-17(21-6-2)14-24-11-9-16(13-19)10-12-25-15-18(22-7-3)23-8-4/h16-18,24-25H,5-15,19H2,1-4H3
InChIKeyACROMABCDUUBHK-UHFFFAOYSA-N
XLogP3.50
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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]butan-1-amine
CID 57034476
5-(3,3-Dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]pentan-1-amine
CID 57063234
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
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-(2,2-diethoxyethylphosphanyl)-2-[2-(2,2-diethoxyethylphosphanyl)ethyl]butan-1-amine?
The IUPAC name of 4-(2,2-diethoxyethylphosphanyl)-2-[2-(2,2-diethoxyethylphosphanyl)ethyl]butan-1-amine (CID 57278243) is 4-(2,2-diethoxyethylphosphanyl)-2-[2-(2,2-diethoxyethylphosphanyl)ethyl]butan-1-amine.
What is the SMILES notation for 4-(2,2-diethoxyethylphosphanyl)-2-[2-(2,2-diethoxyethylphosphanyl)ethyl]butan-1-amine?
The canonical SMILES for 4-(2,2-diethoxyethylphosphanyl)-2-[2-(2,2-diethoxyethylphosphanyl)ethyl]butan-1-amine is CCOC(CPCCC(CN)CCPCC(OCC)OCC)OCC.
What is the InChIKey of 4-(2,2-diethoxyethylphosphanyl)-2-[2-(2,2-diethoxyethylphosphanyl)ethyl]butan-1-amine?
The InChIKey is ACROMABCDUUBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H41NO4P2/c1-5-20-17(21-6-2)14-24-11-9-16(13-19)10-12-25-15-18(22-7-3)23-8-4/h16-18,24-25H,5-15,19H2,1-4H3.
What are the key properties of 4-(2,2-diethoxyethylphosphanyl)-2-[2-(2,2-diethoxyethylphosphanyl)ethyl]butan-1-amine?
4-(2,2-diethoxyethylphosphanyl)-2-[2-(2,2-diethoxyethylphosphanyl)ethyl]butan-1-amine has a molecular weight of 397.48 g/mol, XLogP of 3.50, 19 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-diethoxyethylphosphanyl)-2-[2-(2,2-diethoxyethylphosphanyl)ethyl]butan-1-amine is sourced from PubChem (CID 57278243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).