N-[2-[2-(iodomethyl)oxetan-2-yl]ethyl]-N-methylpropan-2-amine

C10H20INO — CID 130347240

IUPACN-[2-[2-(iodomethyl)oxetan-2-yl]ethyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)CCC1(CI)CCO1
InChIInChI=1S/C10H20INO/c1-9(2)12(3)6-4-10(8-11)5-7-13-10/h9H,4-8H2,1-3H3
InChIKeyOABQQGYJCWNRRI-UHFFFAOYSA-N
MW297.18 g/mol
LogP2.31
Rot. Bonds5

About N-[2-[2-(iodomethyl)oxetan-2-yl]ethyl]-N-methylpropan-2-amine

N-[2-[2-(iodomethyl)oxetan-2-yl]ethyl]-N-methylpropan-2-amine (PubChem CID 130347240) has the molecular formula C10H20INO and a molecular weight of 297.18 g/mol. Its IUPAC name is N-[2-[2-(iodomethyl)oxetan-2-yl]ethyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(iodomethyl)oxetan-2-yl]ethyl]-N-methylpropan-2-amine
PubChem CID130347240
Molecular FormulaC10H20INO
Molecular Weight297.18 g/mol
Exact Mass297.06
IUPAC NameN-[2-[2-(iodomethyl)oxetan-2-yl]ethyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)CCC1(CI)CCO1
InChIInChI=1S/C10H20INO/c1-9(2)12(3)6-4-10(8-11)5-7-13-10/h9H,4-8H2,1-3H3
InChIKeyOABQQGYJCWNRRI-UHFFFAOYSA-N
XLogP2.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-[2-(iodomethyl)oxetan-2-yl]ethyl]-N-methylpropan-2-amine?
The IUPAC name of N-[2-[2-(iodomethyl)oxetan-2-yl]ethyl]-N-methylpropan-2-amine (CID 130347240) is N-[2-[2-(iodomethyl)oxetan-2-yl]ethyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[2-[2-(iodomethyl)oxetan-2-yl]ethyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[2-[2-(iodomethyl)oxetan-2-yl]ethyl]-N-methylpropan-2-amine is CC(C)N(C)CCC1(CI)CCO1.
What is the InChIKey of N-[2-[2-(iodomethyl)oxetan-2-yl]ethyl]-N-methylpropan-2-amine?
The InChIKey is OABQQGYJCWNRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20INO/c1-9(2)12(3)6-4-10(8-11)5-7-13-10/h9H,4-8H2,1-3H3.
What are the key properties of N-[2-[2-(iodomethyl)oxetan-2-yl]ethyl]-N-methylpropan-2-amine?
N-[2-[2-(iodomethyl)oxetan-2-yl]ethyl]-N-methylpropan-2-amine has a molecular weight of 297.18 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(iodomethyl)oxetan-2-yl]ethyl]-N-methylpropan-2-amine is sourced from PubChem (CID 130347240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).