N-[2-[2-[2-(2-iodophosphanyloxyethoxy)ethoxy]ethoxy]ethyl]-N-methylpropan-2-amine

C12H27INO4P — CID 153398427

IUPACN-[2-[2-[2-(2-iodophosphanyloxyethoxy)ethoxy]ethoxy]ethyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)CCOCCOCCOCCOPI
InChIInChI=1S/C12H27INO4P/c1-12(2)14(3)4-5-15-6-7-16-8-9-17-10-11-18-19-13/h12,19H,4-11H2,1-3H3
InChIKeyBMAAFCLDKUWSBR-UHFFFAOYSA-N
MW407.23 g/mol
LogP2.34
Rot. Bonds14

About N-[2-[2-[2-(2-iodophosphanyloxyethoxy)ethoxy]ethoxy]ethyl]-N-methylpropan-2-amine

N-[2-[2-[2-(2-iodophosphanyloxyethoxy)ethoxy]ethoxy]ethyl]-N-methylpropan-2-amine (PubChem CID 153398427) has the molecular formula C12H27INO4P and a molecular weight of 407.23 g/mol. Its IUPAC name is N-[2-[2-[2-(2-iodophosphanyloxyethoxy)ethoxy]ethoxy]ethyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[2-[2-(2-iodophosphanyloxyethoxy)ethoxy]ethoxy]ethyl]-N-methylpropan-2-amine
PubChem CID153398427
Molecular FormulaC12H27INO4P
Molecular Weight407.23 g/mol
Exact Mass407.07
IUPAC NameN-[2-[2-[2-(2-iodophosphanyloxyethoxy)ethoxy]ethoxy]ethyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)CCOCCOCCOCCOPI
InChIInChI=1S/C12H27INO4P/c1-12(2)14(3)4-5-15-6-7-16-8-9-17-10-11-18-19-13/h12,19H,4-11H2,1-3H3
InChIKeyBMAAFCLDKUWSBR-UHFFFAOYSA-N
XLogP2.34
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.23
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(dimethylamino)ethoxy]ethyl]-N-methylpropan-2-amine
CID 170129105
(1R)-1-[methyl-[2-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethoxy]ethyl]amino]ethanethiol
CID 148864946
N,2-dimethyl-N-[2-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethoxy]ethyl]propan-2-amine
CID 21049157
N-[2-[2-[ethyl(methyl)amino]ethoxy]ethyl]-N-methylpropan-2-amine
CID 177053557
N-methyl-4-[4-[methyl(propan-2-yl)amino]butoxy]-N-propan-2-ylbutan-1-amine
CID 59059943
2-[2-(2-iodophosphanyloxyethoxy)ethoxy]ethanol
CID 134275169
3-methyl-1-[methyl-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethyl]amino]butan-2-one
CID 176581358
N-methyl-3-(3-pentoxypropoxy)-N-propan-2-ylpropan-1-amine
CID 163400505
ethene;N-(2-methoxyethyl)-N-methylpropan-2-amine
CID 142497540
ethane;N'-methyl-N-[2-(2-pentoxyethoxy)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 164907050
N-[2-(2-chloroethoxy)ethyl]-N-methylbutan-2-amine
CID 63666470
2-[2-[2-(dimethylamino)ethoxy]ethoxy]-N,N-dimethylethanamine;ethane
CID 168987783

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-iodophosphanyloxyethoxy)ethoxy]ethoxy]ethyl]-N-methylpropan-2-amine?
The IUPAC name of N-[2-[2-[2-(2-iodophosphanyloxyethoxy)ethoxy]ethoxy]ethyl]-N-methylpropan-2-amine (CID 153398427) is N-[2-[2-[2-(2-iodophosphanyloxyethoxy)ethoxy]ethoxy]ethyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[2-[2-[2-(2-iodophosphanyloxyethoxy)ethoxy]ethoxy]ethyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[2-[2-[2-(2-iodophosphanyloxyethoxy)ethoxy]ethoxy]ethyl]-N-methylpropan-2-amine is CC(C)N(C)CCOCCOCCOCCOPI.
What is the InChIKey of N-[2-[2-[2-(2-iodophosphanyloxyethoxy)ethoxy]ethoxy]ethyl]-N-methylpropan-2-amine?
The InChIKey is BMAAFCLDKUWSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27INO4P/c1-12(2)14(3)4-5-15-6-7-16-8-9-17-10-11-18-19-13/h12,19H,4-11H2,1-3H3.
What are the key properties of N-[2-[2-[2-(2-iodophosphanyloxyethoxy)ethoxy]ethoxy]ethyl]-N-methylpropan-2-amine?
N-[2-[2-[2-(2-iodophosphanyloxyethoxy)ethoxy]ethoxy]ethyl]-N-methylpropan-2-amine has a molecular weight of 407.23 g/mol, XLogP of 2.34, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2-iodophosphanyloxyethoxy)ethoxy]ethoxy]ethyl]-N-methylpropan-2-amine is sourced from PubChem (CID 153398427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).