2-[1,6-bis(3,3-dimethoxypropylphosphanyl)hexan-3-yloxy]ethanamine

C18H41NO5P2 — CID 87513101

IUPAC2-[1,6-bis(3,3-dimethoxypropylphosphanyl)hexan-3-yloxy]ethanamine
SMILESCOC(CCPCCCC(CCPCCC(OC)OC)OCCN)OC
InChIInChI=1S/C18H41NO5P2/c1-20-17(21-2)8-14-25-12-5-6-16(24-11-10-19)7-13-26-15-9-18(22-3)23-4/h16-18,25-26H,5-15,19H2,1-4H3
InChIKeySJFYVIWGYVRNEZ-UHFFFAOYSA-N
MW413.48 g/mol
LogP2.88
Rot. Bonds20

About 2-[1,6-bis(3,3-dimethoxypropylphosphanyl)hexan-3-yloxy]ethanamine

2-[1,6-bis(3,3-dimethoxypropylphosphanyl)hexan-3-yloxy]ethanamine (PubChem CID 87513101) has the molecular formula C18H41NO5P2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-[1,6-bis(3,3-dimethoxypropylphosphanyl)hexan-3-yloxy]ethanamine.

Molecular Properties

Compound Name2-[1,6-bis(3,3-dimethoxypropylphosphanyl)hexan-3-yloxy]ethanamine
PubChem CID87513101
Molecular FormulaC18H41NO5P2
Molecular Weight413.48 g/mol
Exact Mass413.25
IUPAC Name2-[1,6-bis(3,3-dimethoxypropylphosphanyl)hexan-3-yloxy]ethanamine
SMILESCOC(CCPCCCC(CCPCCC(OC)OC)OCCN)OC
InChIInChI=1S/C18H41NO5P2/c1-20-17(21-2)8-14-25-12-5-6-16(24-11-10-19)7-13-26-15-9-18(22-3)23-4/h16-18,25-26H,5-15,19H2,1-4H3
InChIKeySJFYVIWGYVRNEZ-UHFFFAOYSA-N
XLogP2.88
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 52.88
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

2-[1,7-bis(3,3-diethoxypropylphosphanyl)heptan-3-yloxy]ethanamine
CID 87513692
2-[1,6-bis(dipropoxymethylphosphanyl)hexan-3-yloxy]ethanamine
CID 87763381
2-dodecan-5-yloxyethanamine
CID 18672808
2-(1-methoxypropoxy)ethanamine
CID 147503736
3-iodo-1,1-dimethoxypropane
CID 11042538
4-methoxy-4-propoxybutan-1-amine
CID 173191706
3-pentoxyhexadecan-1-amine
CID 153320725
2-propan-2-yloxyethanamine
CID 533866
3-[2-(1-methoxypropoxy)ethylsilyl]propan-1-amine
CID 174968471
3-(2-methoxyethoxy)pentan-1-amine
CID 43428406
3,3-dimethoxypropyl-[3-(3,3-dimethoxypropylsilyl)propyl]silane
CID 123145212
(E)-1,1,8,8-tetramethoxyoct-4-ene
CID 15239126

Frequently Asked Questions

What is the IUPAC name of 2-[1,6-bis(3,3-dimethoxypropylphosphanyl)hexan-3-yloxy]ethanamine?
The IUPAC name of 2-[1,6-bis(3,3-dimethoxypropylphosphanyl)hexan-3-yloxy]ethanamine (CID 87513101) is 2-[1,6-bis(3,3-dimethoxypropylphosphanyl)hexan-3-yloxy]ethanamine.
What is the SMILES notation for 2-[1,6-bis(3,3-dimethoxypropylphosphanyl)hexan-3-yloxy]ethanamine?
The canonical SMILES for 2-[1,6-bis(3,3-dimethoxypropylphosphanyl)hexan-3-yloxy]ethanamine is COC(CCPCCCC(CCPCCC(OC)OC)OCCN)OC.
What is the InChIKey of 2-[1,6-bis(3,3-dimethoxypropylphosphanyl)hexan-3-yloxy]ethanamine?
The InChIKey is SJFYVIWGYVRNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H41NO5P2/c1-20-17(21-2)8-14-25-12-5-6-16(24-11-10-19)7-13-26-15-9-18(22-3)23-4/h16-18,25-26H,5-15,19H2,1-4H3.
What are the key properties of 2-[1,6-bis(3,3-dimethoxypropylphosphanyl)hexan-3-yloxy]ethanamine?
2-[1,6-bis(3,3-dimethoxypropylphosphanyl)hexan-3-yloxy]ethanamine has a molecular weight of 413.48 g/mol, XLogP of 2.88, 20 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,6-bis(3,3-dimethoxypropylphosphanyl)hexan-3-yloxy]ethanamine is sourced from PubChem (CID 87513101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).