9-[ethoxy(iodomethoxy)phosphoryl]-N-methylnonan-1-amine

C13H29INO3P — CID 146259268

IUPAC9-[ethoxy(iodomethoxy)phosphoryl]-N-methylnonan-1-amine
SMILESCCOP(=O)(CCCCCCCCCNC)OCI
InChIInChI=1S/C13H29INO3P/c1-3-17-19(16,18-13-14)12-10-8-6-4-5-7-9-11-15-2/h15H,3-13H2,1-2H3
InChIKeyWLIIHZLBOVMHNU-UHFFFAOYSA-N
MW405.26 g/mol
LogP4.58
Rot. Bonds14

About 9-[ethoxy(iodomethoxy)phosphoryl]-N-methylnonan-1-amine

9-[ethoxy(iodomethoxy)phosphoryl]-N-methylnonan-1-amine (PubChem CID 146259268) has the molecular formula C13H29INO3P and a molecular weight of 405.26 g/mol. Its IUPAC name is 9-[ethoxy(iodomethoxy)phosphoryl]-N-methylnonan-1-amine.

Molecular Properties

Compound Name9-[ethoxy(iodomethoxy)phosphoryl]-N-methylnonan-1-amine
PubChem CID146259268
Molecular FormulaC13H29INO3P
Molecular Weight405.26 g/mol
Exact Mass405.09
IUPAC Name9-[ethoxy(iodomethoxy)phosphoryl]-N-methylnonan-1-amine
SMILESCCOP(=O)(CCCCCCCCCNC)OCI
InChIInChI=1S/C13H29INO3P/c1-3-17-19(16,18-13-14)12-10-8-6-4-5-7-9-11-15-2/h15H,3-13H2,1-2H3
InChIKeyWLIIHZLBOVMHNU-UHFFFAOYSA-N
XLogP4.58
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.26
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-diethoxyphosphoryldecane
CID 2773697
1-diethoxyphosphorylundecane
CID 57360026
8-diethoxyphosphoryloctan-1-ol
CID 10515886
N,3-bis(diethoxyphosphoryl)propan-1-amine
CID 12557390
6-(2-diethoxyphosphorylethylamino)hexan-1-ol
CID 175947298
13-diethoxyphosphoryltridecanoic acid
CID 87637864
11-diethoxyphosphorylundecanoic acid
CID 45158998
1-[ethoxy(methoxy)phosphoryl]butane
CID 86081258
1-dibutoxyphosphoryloctacosane
CID 141204672
O-[ethoxy-[2-(methylamino)ethyl]phosphoryl]hydroxylamine;hydrochloride
CID 173210989
5-diethoxyphosphorylpentanenitrile
CID 54374059
2-diethoxyphosphorylethanesulfonic acid
CID 14904485

Frequently Asked Questions

What is the IUPAC name of 9-[ethoxy(iodomethoxy)phosphoryl]-N-methylnonan-1-amine?
The IUPAC name of 9-[ethoxy(iodomethoxy)phosphoryl]-N-methylnonan-1-amine (CID 146259268) is 9-[ethoxy(iodomethoxy)phosphoryl]-N-methylnonan-1-amine.
What is the SMILES notation for 9-[ethoxy(iodomethoxy)phosphoryl]-N-methylnonan-1-amine?
The canonical SMILES for 9-[ethoxy(iodomethoxy)phosphoryl]-N-methylnonan-1-amine is CCOP(=O)(CCCCCCCCCNC)OCI.
What is the InChIKey of 9-[ethoxy(iodomethoxy)phosphoryl]-N-methylnonan-1-amine?
The InChIKey is WLIIHZLBOVMHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29INO3P/c1-3-17-19(16,18-13-14)12-10-8-6-4-5-7-9-11-15-2/h15H,3-13H2,1-2H3.
What are the key properties of 9-[ethoxy(iodomethoxy)phosphoryl]-N-methylnonan-1-amine?
9-[ethoxy(iodomethoxy)phosphoryl]-N-methylnonan-1-amine has a molecular weight of 405.26 g/mol, XLogP of 4.58, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[ethoxy(iodomethoxy)phosphoryl]-N-methylnonan-1-amine is sourced from PubChem (CID 146259268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).