phosphoric acid;5-propyl-N-(5-propylnonan-5-yl)nonan-5-amine

C24H54NO4P — CID 87917867

IUPACphosphoric acid;5-propyl-N-(5-propylnonan-5-yl)nonan-5-amine
SMILESCCCCC(CCC)(CCCC)NC(CCC)(CCCC)CCCC.O=P(O)(O)O
InChIInChI=1S/C24H51N.H3O4P/c1-7-13-19-23(17-11-5,20-14-8-2)25-24(18-12-6,21-15-9-3)22-16-10-4;1-5(2,3)4/h25H,7-22H2,1-6H3;(H3,1,2,3,4)
InChIKeyPUHSURTVLKBAHN-UHFFFAOYSA-N
MW451.67 g/mol
LogP7.49
Rot. Bonds18

About phosphoric acid;5-propyl-N-(5-propylnonan-5-yl)nonan-5-amine

phosphoric acid;5-propyl-N-(5-propylnonan-5-yl)nonan-5-amine (PubChem CID 87917867) has the molecular formula C24H54NO4P and a molecular weight of 451.67 g/mol. Its IUPAC name is phosphoric acid;5-propyl-N-(5-propylnonan-5-yl)nonan-5-amine.

Molecular Properties

Compound Namephosphoric acid;5-propyl-N-(5-propylnonan-5-yl)nonan-5-amine
PubChem CID87917867
Molecular FormulaC24H54NO4P
Molecular Weight451.67 g/mol
Exact Mass451.38
IUPAC Namephosphoric acid;5-propyl-N-(5-propylnonan-5-yl)nonan-5-amine
SMILESCCCCC(CCC)(CCCC)NC(CCC)(CCCC)CCCC.O=P(O)(O)O
InChIInChI=1S/C24H51N.H3O4P/c1-7-13-19-23(17-11-5,20-14-8-2)25-24(18-12-6,21-15-9-3)22-16-10-4;1-5(2,3)4/h25H,7-22H2,1-6H3;(H3,1,2,3,4)
InChIKeyPUHSURTVLKBAHN-UHFFFAOYSA-N
XLogP7.49
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.67
LogP ≤ 57.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-butylnonan-5-amine;phosphoric acid
CID 88962478
5,5-dibutylhexadecane;phosphoric acid
CID 175353536
5-propylnonan-5-ylphosphonic acid
CID 19438491
(5-propylnonan-5-ylamino)methanol
CID 90399487
N-ethyl-4-propyloctan-4-amine
CID 593646
dodecane;phosphoric acid
CID 88801558
cyclohexane;phosphoric acid;bis(tetradecane)
CID 175142531
azanium [1-azaniumyl-1-[hydroxy(oxido)phosphoryl]pentyl]-hydroxyphosphinate
CID 139077100
methane;pentadecane;phosphoric acid;hydrate
CID 173085689
ethane;henicosane;phosphoric acid;hydrate
CID 173085892
phosphoric acid;tributyl(methyl)phosphanium
CID 166680840
(2-methyl-3-propan-2-ylheptan-3-yl)phosphonic acid
CID 174818285

Frequently Asked Questions

What is the IUPAC name of phosphoric acid;5-propyl-N-(5-propylnonan-5-yl)nonan-5-amine?
The IUPAC name of phosphoric acid;5-propyl-N-(5-propylnonan-5-yl)nonan-5-amine (CID 87917867) is phosphoric acid;5-propyl-N-(5-propylnonan-5-yl)nonan-5-amine.
What is the SMILES notation for phosphoric acid;5-propyl-N-(5-propylnonan-5-yl)nonan-5-amine?
The canonical SMILES for phosphoric acid;5-propyl-N-(5-propylnonan-5-yl)nonan-5-amine is CCCCC(CCC)(CCCC)NC(CCC)(CCCC)CCCC.O=P(O)(O)O.
What is the InChIKey of phosphoric acid;5-propyl-N-(5-propylnonan-5-yl)nonan-5-amine?
The InChIKey is PUHSURTVLKBAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51N.H3O4P/c1-7-13-19-23(17-11-5,20-14-8-2)25-24(18-12-6,21-15-9-3)22-16-10-4;1-5(2,3)4/h25H,7-22H2,1-6H3;(H3,1,2,3,4).
What are the key properties of phosphoric acid;5-propyl-N-(5-propylnonan-5-yl)nonan-5-amine?
phosphoric acid;5-propyl-N-(5-propylnonan-5-yl)nonan-5-amine has a molecular weight of 451.67 g/mol, XLogP of 7.49, 18 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;5-propyl-N-(5-propylnonan-5-yl)nonan-5-amine is sourced from PubChem (CID 87917867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).