N-iodo-3-methoxy-N-methylpropan-1-amine

C5H12INO — CID 130254391

IUPACN-iodo-3-methoxy-N-methylpropan-1-amine
SMILESCOCCCN(C)I
InChIInChI=1S/C5H12INO/c1-7(6)4-3-5-8-2/h3-5H2,1-2H3
InChIKeySFAZDWFZGFOAQD-UHFFFAOYSA-N
MW229.06 g/mol
LogP1.30
Rot. Bonds4

About N-iodo-3-methoxy-N-methylpropan-1-amine

N-iodo-3-methoxy-N-methylpropan-1-amine (PubChem CID 130254391) has the molecular formula C5H12INO and a molecular weight of 229.06 g/mol. Its IUPAC name is N-iodo-3-methoxy-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-iodo-3-methoxy-N-methylpropan-1-amine
PubChem CID130254391
Molecular FormulaC5H12INO
Molecular Weight229.06 g/mol
Exact Mass229.00
IUPAC NameN-iodo-3-methoxy-N-methylpropan-1-amine
SMILESCOCCCN(C)I
InChIInChI=1S/C5H12INO/c1-7(6)4-3-5-8-2/h3-5H2,1-2H3
InChIKeySFAZDWFZGFOAQD-UHFFFAOYSA-N
XLogP1.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.06
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-iodo-3-methoxy-N-methylpropan-1-amine?
The IUPAC name of N-iodo-3-methoxy-N-methylpropan-1-amine (CID 130254391) is N-iodo-3-methoxy-N-methylpropan-1-amine.
What is the SMILES notation for N-iodo-3-methoxy-N-methylpropan-1-amine?
The canonical SMILES for N-iodo-3-methoxy-N-methylpropan-1-amine is COCCCN(C)I.
What is the InChIKey of N-iodo-3-methoxy-N-methylpropan-1-amine?
The InChIKey is SFAZDWFZGFOAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12INO/c1-7(6)4-3-5-8-2/h3-5H2,1-2H3.
What are the key properties of N-iodo-3-methoxy-N-methylpropan-1-amine?
N-iodo-3-methoxy-N-methylpropan-1-amine has a molecular weight of 229.06 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-3-methoxy-N-methylpropan-1-amine is sourced from PubChem (CID 130254391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).