dihydroxy(oxo)phosphanium;N-methyloctadecan-1-amine

C19H43NO3P+ — CID 19904990

IUPACdihydroxy(oxo)phosphanium;N-methyloctadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCNC.O=[P+](O)O
InChIInChI=1S/C19H41N.HO3P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2;1-4(2)3/h20H,3-19H2,1-2H3;(H-,1,2,3)/p+1
InChIKeyJKFLJAXBVPGLDU-UHFFFAOYSA-O
MW364.53 g/mol
LogP6.10
Rot. Bonds17

About dihydroxy(oxo)phosphanium;N-methyloctadecan-1-amine

dihydroxy(oxo)phosphanium;N-methyloctadecan-1-amine (PubChem CID 19904990) has the molecular formula C19H43NO3P+ and a molecular weight of 364.53 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;N-methyloctadecan-1-amine.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;N-methyloctadecan-1-amine
PubChem CID19904990
Molecular FormulaC19H43NO3P+
Molecular Weight364.53 g/mol
Exact Mass364.30
IUPAC Namedihydroxy(oxo)phosphanium;N-methyloctadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCNC.O=[P+](O)O
InChIInChI=1S/C19H41N.HO3P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2;1-4(2)3/h20H,3-19H2,1-2H3;(H-,1,2,3)/p+1
InChIKeyJKFLJAXBVPGLDU-UHFFFAOYSA-O
XLogP6.10
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 56.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

N-methyltriacontan-1-amine
CID 19840895
hydroxylamine;N-methyloctan-1-amine
CID 144676839
dihydroxy(oxo)phosphanium;bis(octadecane)
CID 87485521
dihydroxy(oxo)phosphanium;dodecane
CID 18620358
tris(N-methyldodecan-1-amine);phosphoric acid
CID 175134049
N-methyloctan-1-amine;propan-1-ol
CID 88540071
N-methyltridecan-1-amine;molecular hydrogen
CID 153363446
N-methylpentan-1-amine;phosphoric acid
CID 175529105
N-methylheptan-1-amine;molecular hydrogen;propane
CID 144955567
methyl hydrogen sulfate;N-methyltetradecan-1-amine
CID 173229192
hexanoic acid;N-methyltridecan-1-amine
CID 173175224
N'-dodecyl-N-methylpropane-1,3-diamine
CID 19812622

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;N-methyloctadecan-1-amine?
The IUPAC name of dihydroxy(oxo)phosphanium;N-methyloctadecan-1-amine (CID 19904990) is dihydroxy(oxo)phosphanium;N-methyloctadecan-1-amine.
What is the SMILES notation for dihydroxy(oxo)phosphanium;N-methyloctadecan-1-amine?
The canonical SMILES for dihydroxy(oxo)phosphanium;N-methyloctadecan-1-amine is CCCCCCCCCCCCCCCCCCNC.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;N-methyloctadecan-1-amine?
The InChIKey is JKFLJAXBVPGLDU-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H41N.HO3P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2;1-4(2)3/h20H,3-19H2,1-2H3;(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;N-methyloctadecan-1-amine?
dihydroxy(oxo)phosphanium;N-methyloctadecan-1-amine has a molecular weight of 364.53 g/mol, XLogP of 6.10, 17 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;N-methyloctadecan-1-amine is sourced from PubChem (CID 19904990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).