N-[2-(iodomethoxy)ethyl]-N,2-dimethylpropan-1-amine

C8H18INO — CID 135254240

IUPACN-[2-(iodomethoxy)ethyl]-N,2-dimethylpropan-1-amine
SMILESCC(C)CN(C)CCOCI
InChIInChI=1S/C8H18INO/c1-8(2)6-10(3)4-5-11-7-9/h8H,4-7H2,1-3H3
InChIKeyULUIELPGGQTXSN-UHFFFAOYSA-N
MW271.14 g/mol
LogP1.98
Rot. Bonds6

About N-[2-(iodomethoxy)ethyl]-N,2-dimethylpropan-1-amine

N-[2-(iodomethoxy)ethyl]-N,2-dimethylpropan-1-amine (PubChem CID 135254240) has the molecular formula C8H18INO and a molecular weight of 271.14 g/mol. Its IUPAC name is N-[2-(iodomethoxy)ethyl]-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(iodomethoxy)ethyl]-N,2-dimethylpropan-1-amine
PubChem CID135254240
Molecular FormulaC8H18INO
Molecular Weight271.14 g/mol
Exact Mass271.04
IUPAC NameN-[2-(iodomethoxy)ethyl]-N,2-dimethylpropan-1-amine
SMILESCC(C)CN(C)CCOCI
InChIInChI=1S/C8H18INO/c1-8(2)6-10(3)4-5-11-7-9/h8H,4-7H2,1-3H3
InChIKeyULUIELPGGQTXSN-UHFFFAOYSA-N
XLogP1.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(iodomethoxy)ethyl]-N,2-dimethylpropan-1-amine?
The IUPAC name of N-[2-(iodomethoxy)ethyl]-N,2-dimethylpropan-1-amine (CID 135254240) is N-[2-(iodomethoxy)ethyl]-N,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[2-(iodomethoxy)ethyl]-N,2-dimethylpropan-1-amine?
The canonical SMILES for N-[2-(iodomethoxy)ethyl]-N,2-dimethylpropan-1-amine is CC(C)CN(C)CCOCI.
What is the InChIKey of N-[2-(iodomethoxy)ethyl]-N,2-dimethylpropan-1-amine?
The InChIKey is ULUIELPGGQTXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18INO/c1-8(2)6-10(3)4-5-11-7-9/h8H,4-7H2,1-3H3.
What are the key properties of N-[2-(iodomethoxy)ethyl]-N,2-dimethylpropan-1-amine?
N-[2-(iodomethoxy)ethyl]-N,2-dimethylpropan-1-amine has a molecular weight of 271.14 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(iodomethoxy)ethyl]-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 135254240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).