phosphanyl 2,2-dimethyl-8-(pentylamino)octanoate

C15H32NO2P — CID 126724265

IUPACphosphanyl 2,2-dimethyl-8-(pentylamino)octanoate
SMILESCCCCCNCCCCCCC(C)(C)C(=O)OP
InChIInChI=1S/C15H32NO2P/c1-4-5-9-12-16-13-10-7-6-8-11-15(2,3)14(17)18-19/h16H,4-13,19H2,1-3H3
InChIKeyNPWHUYKTDKIKGV-UHFFFAOYSA-N
MW289.40 g/mol
LogP4.08
Rot. Bonds12

About phosphanyl 2,2-dimethyl-8-(pentylamino)octanoate

phosphanyl 2,2-dimethyl-8-(pentylamino)octanoate (PubChem CID 126724265) has the molecular formula C15H32NO2P and a molecular weight of 289.40 g/mol. Its IUPAC name is phosphanyl 2,2-dimethyl-8-(pentylamino)octanoate.

Molecular Properties

Compound Namephosphanyl 2,2-dimethyl-8-(pentylamino)octanoate
PubChem CID126724265
Molecular FormulaC15H32NO2P
Molecular Weight289.40 g/mol
Exact Mass289.22
IUPAC Namephosphanyl 2,2-dimethyl-8-(pentylamino)octanoate
SMILESCCCCCNCCCCCCC(C)(C)C(=O)OP
InChIInChI=1S/C15H32NO2P/c1-4-5-9-12-16-13-10-7-6-8-11-15(2,3)14(17)18-19/h16H,4-13,19H2,1-3H3
InChIKeyNPWHUYKTDKIKGV-UHFFFAOYSA-N
XLogP4.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

azanium methyl 2,2-dimethyloctadecanoate
CID 22238515
phosphanyl 2,2-dichlorooctanoate
CID 174834008
18,18-dimethyl-N-octadecylnonadecan-1-amine
CID 154404952
bis(2,2-dimethyloctanoyloxy)lead
CID 90470718
propyl 2,2-dimethylhexadecanoate
CID 57107993
carbonic acid;N-hexylhexan-1-amine
CID 174995198
tert-butyl N-[3-(decylamino)propyl]carbamate
CID 103821957
N-hexadecyl-18,18-dimethylnonadecan-1-amine;hydrochloride
CID 173196630
N-(12,12-dimethyltridecyl)hexadecan-1-amine;hydrobromide
CID 174728206
1-O-hexyl 3-O-octyl 2-[6-(3-hydroxypropylamino)hexyl]-2-methylpropanedioate
CID 170431269
[3-(5-aminohexylamino)-2-hydroxypropyl] 2,2-dimethylundecanoate
CID 57084679
N-hexyltridecan-1-amine
CID 87659278

Frequently Asked Questions

What is the IUPAC name of phosphanyl 2,2-dimethyl-8-(pentylamino)octanoate?
The IUPAC name of phosphanyl 2,2-dimethyl-8-(pentylamino)octanoate (CID 126724265) is phosphanyl 2,2-dimethyl-8-(pentylamino)octanoate.
What is the SMILES notation for phosphanyl 2,2-dimethyl-8-(pentylamino)octanoate?
The canonical SMILES for phosphanyl 2,2-dimethyl-8-(pentylamino)octanoate is CCCCCNCCCCCCC(C)(C)C(=O)OP.
What is the InChIKey of phosphanyl 2,2-dimethyl-8-(pentylamino)octanoate?
The InChIKey is NPWHUYKTDKIKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32NO2P/c1-4-5-9-12-16-13-10-7-6-8-11-15(2,3)14(17)18-19/h16H,4-13,19H2,1-3H3.
What are the key properties of phosphanyl 2,2-dimethyl-8-(pentylamino)octanoate?
phosphanyl 2,2-dimethyl-8-(pentylamino)octanoate has a molecular weight of 289.40 g/mol, XLogP of 4.08, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanyl 2,2-dimethyl-8-(pentylamino)octanoate is sourced from PubChem (CID 126724265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).