2-amino-1-dibutoxyphosphoryl-4-methylpentan-1-ol

C14H32NO4P — CID 85265774

IUPAC2-amino-1-dibutoxyphosphoryl-4-methylpentan-1-ol
SMILESCCCCOP(=O)(OCCCC)C(O)C(N)CC(C)C
InChIInChI=1S/C14H32NO4P/c1-5-7-9-18-20(17,19-10-8-6-2)14(16)13(15)11-12(3)4/h12-14,16H,5-11,15H2,1-4H3
InChIKeyMYVRFZUEGJASFF-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.50
Rot. Bonds12

About 2-amino-1-dibutoxyphosphoryl-4-methylpentan-1-ol

2-amino-1-dibutoxyphosphoryl-4-methylpentan-1-ol (PubChem CID 85265774) has the molecular formula C14H32NO4P and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-amino-1-dibutoxyphosphoryl-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-amino-1-dibutoxyphosphoryl-4-methylpentan-1-ol
PubChem CID85265774
Molecular FormulaC14H32NO4P
Molecular Weight309.39 g/mol
Exact Mass309.21
IUPAC Name2-amino-1-dibutoxyphosphoryl-4-methylpentan-1-ol
SMILESCCCCOP(=O)(OCCCC)C(O)C(N)CC(C)C
InChIInChI=1S/C14H32NO4P/c1-5-7-9-18-20(17,19-10-8-6-2)14(16)13(15)11-12(3)4/h12-14,16H,5-11,15H2,1-4H3
InChIKeyMYVRFZUEGJASFF-UHFFFAOYSA-N
XLogP3.50
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

dibutoxyphosphorylmethanediol
CID 87672065
1-[butoxy(propan-2-yl)phosphoryl]oxybutane
CID 580343
ethyl 3-dibutoxyphosphorylbutanoate
CID 172832682
dibutyl phosphate;tetramethylphosphanium
CID 87474476
(1S)-1-diethoxyphosphoryl-3-methylbutan-1-ol
CID 10944092
ethyl 3-diethoxyphosphoryl-2-hydroxybutanoate
CID 23420452
butyl 3-hydroxybutyl hydrogen phosphate
CID 71322607
1,1-bis(dibutoxyphosphoryl)-N,N-dimethylmethanamine
CID 14512426
dibutyl hydrogen phosphate
CID 158586372
1-diethoxyphosphoryl-3-methylbutan-1-amine;oxalic acid
CID 12635018
4-amino-2-methylundecan-5-ol
CID 72805371
propane-1,2,3-triol;tributyl phosphate
CID 162064877

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-dibutoxyphosphoryl-4-methylpentan-1-ol?
The IUPAC name of 2-amino-1-dibutoxyphosphoryl-4-methylpentan-1-ol (CID 85265774) is 2-amino-1-dibutoxyphosphoryl-4-methylpentan-1-ol.
What is the SMILES notation for 2-amino-1-dibutoxyphosphoryl-4-methylpentan-1-ol?
The canonical SMILES for 2-amino-1-dibutoxyphosphoryl-4-methylpentan-1-ol is CCCCOP(=O)(OCCCC)C(O)C(N)CC(C)C.
What is the InChIKey of 2-amino-1-dibutoxyphosphoryl-4-methylpentan-1-ol?
The InChIKey is MYVRFZUEGJASFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32NO4P/c1-5-7-9-18-20(17,19-10-8-6-2)14(16)13(15)11-12(3)4/h12-14,16H,5-11,15H2,1-4H3.
What are the key properties of 2-amino-1-dibutoxyphosphoryl-4-methylpentan-1-ol?
2-amino-1-dibutoxyphosphoryl-4-methylpentan-1-ol has a molecular weight of 309.39 g/mol, XLogP of 3.50, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-dibutoxyphosphoryl-4-methylpentan-1-ol is sourced from PubChem (CID 85265774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).