butoxy-[1-(butylamino)cyclohexyl]phosphinate

C14H29NO3P- — CID 71368027

IUPACbutoxy-[1-(butylamino)cyclohexyl]phosphinate
SMILESCCCCNC1(P(=O)([O-])OCCCC)CCCCC1
InChIInChI=1S/C14H30NO3P/c1-3-5-12-15-14(10-8-7-9-11-14)19(16,17)18-13-6-4-2/h15H,3-13H2,1-2H3,(H,16,17)/p-1
InChIKeyBXMWZNXKFGANKP-UHFFFAOYSA-M
MW290.36 g/mol
LogP3.41
Rot. Bonds9

About butoxy-[1-(butylamino)cyclohexyl]phosphinate

butoxy-[1-(butylamino)cyclohexyl]phosphinate (PubChem CID 71368027) has the molecular formula C14H29NO3P- and a molecular weight of 290.36 g/mol. Its IUPAC name is butoxy-[1-(butylamino)cyclohexyl]phosphinate.

Molecular Properties

Compound Namebutoxy-[1-(butylamino)cyclohexyl]phosphinate
PubChem CID71368027
Molecular FormulaC14H29NO3P-
Molecular Weight290.36 g/mol
Exact Mass290.19
IUPAC Namebutoxy-[1-(butylamino)cyclohexyl]phosphinate
SMILESCCCCNC1(P(=O)([O-])OCCCC)CCCCC1
InChIInChI=1S/C14H30NO3P/c1-3-5-12-15-14(10-8-7-9-11-14)19(16,17)18-13-6-4-2/h15H,3-13H2,1-2H3,(H,16,17)/p-1
InChIKeyBXMWZNXKFGANKP-UHFFFAOYSA-M
XLogP3.41
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze butoxy-[1-(butylamino)cyclohexyl]phosphinate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-aminocyclohexyl)-butoxyphosphinate
CID 71368025
N-butyl-1-ethylcyclohexan-1-amine
CID 163975014
magnesium dibutyl phosphate
CID 21400580
butyl phosphate;titanium(2+)
CID 141032733
butyl propyl phosphate;nickel
CID 88805143
dibutyl phosphate;tetraethylazanium
CID 156853023
dibutyl phosphate;tetramethylphosphanium
CID 87474476
[1-(butylamino)cyclohexyl]methanol
CID 62520970
N-(1-dibutoxyphosphorylcyclohexyl)butan-1-imine
CID 71367631
butyl (1-propylcyclopentyl) hydrogen phosphate
CID 139845994
sodium butyl decyl phosphate
CID 174997110
bis(2-butoxyethyl) phosphate
CID 139596269

Frequently Asked Questions

What is the IUPAC name of butoxy-[1-(butylamino)cyclohexyl]phosphinate?
The IUPAC name of butoxy-[1-(butylamino)cyclohexyl]phosphinate (CID 71368027) is butoxy-[1-(butylamino)cyclohexyl]phosphinate.
What is the SMILES notation for butoxy-[1-(butylamino)cyclohexyl]phosphinate?
The canonical SMILES for butoxy-[1-(butylamino)cyclohexyl]phosphinate is CCCCNC1(P(=O)([O-])OCCCC)CCCCC1.
What is the InChIKey of butoxy-[1-(butylamino)cyclohexyl]phosphinate?
The InChIKey is BXMWZNXKFGANKP-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H30NO3P/c1-3-5-12-15-14(10-8-7-9-11-14)19(16,17)18-13-6-4-2/h15H,3-13H2,1-2H3,(H,16,17)/p-1.
What are the key properties of butoxy-[1-(butylamino)cyclohexyl]phosphinate?
butoxy-[1-(butylamino)cyclohexyl]phosphinate has a molecular weight of 290.36 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-[1-(butylamino)cyclohexyl]phosphinate is sourced from PubChem (CID 71368027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).