N-[3-[iodo(methyl)amino]propoxy]-2,3,3-trimethylbutan-1-amine

C11H25IN2O — CID 155215278

IUPACN-[3-[iodo(methyl)amino]propoxy]-2,3,3-trimethylbutan-1-amine
SMILESCC(CNOCCCN(C)I)C(C)(C)C
InChIInChI=1S/C11H25IN2O/c1-10(11(2,3)4)9-13-15-8-6-7-14(5)12/h10,13H,6-9H2,1-5H3
InChIKeyGVJONQWBLCOCIX-UHFFFAOYSA-N
MW328.24 g/mol
LogP2.86
Rot. Bonds7

About N-[3-[iodo(methyl)amino]propoxy]-2,3,3-trimethylbutan-1-amine

N-[3-[iodo(methyl)amino]propoxy]-2,3,3-trimethylbutan-1-amine (PubChem CID 155215278) has the molecular formula C11H25IN2O and a molecular weight of 328.24 g/mol. Its IUPAC name is N-[3-[iodo(methyl)amino]propoxy]-2,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound NameN-[3-[iodo(methyl)amino]propoxy]-2,3,3-trimethylbutan-1-amine
PubChem CID155215278
Molecular FormulaC11H25IN2O
Molecular Weight328.24 g/mol
Exact Mass328.10
IUPAC NameN-[3-[iodo(methyl)amino]propoxy]-2,3,3-trimethylbutan-1-amine
SMILESCC(CNOCCCN(C)I)C(C)(C)C
InChIInChI=1S/C11H25IN2O/c1-10(11(2,3)4)9-13-15-8-6-7-14(5)12/h10,13H,6-9H2,1-5H3
InChIKeyGVJONQWBLCOCIX-UHFFFAOYSA-N
XLogP2.86
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[iodo(methyl)amino]propoxy]-2,3,3-trimethylbutan-1-amine?
The IUPAC name of N-[3-[iodo(methyl)amino]propoxy]-2,3,3-trimethylbutan-1-amine (CID 155215278) is N-[3-[iodo(methyl)amino]propoxy]-2,3,3-trimethylbutan-1-amine.
What is the SMILES notation for N-[3-[iodo(methyl)amino]propoxy]-2,3,3-trimethylbutan-1-amine?
The canonical SMILES for N-[3-[iodo(methyl)amino]propoxy]-2,3,3-trimethylbutan-1-amine is CC(CNOCCCN(C)I)C(C)(C)C.
What is the InChIKey of N-[3-[iodo(methyl)amino]propoxy]-2,3,3-trimethylbutan-1-amine?
The InChIKey is GVJONQWBLCOCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25IN2O/c1-10(11(2,3)4)9-13-15-8-6-7-14(5)12/h10,13H,6-9H2,1-5H3.
What are the key properties of N-[3-[iodo(methyl)amino]propoxy]-2,3,3-trimethylbutan-1-amine?
N-[3-[iodo(methyl)amino]propoxy]-2,3,3-trimethylbutan-1-amine has a molecular weight of 328.24 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[iodo(methyl)amino]propoxy]-2,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 155215278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).