N-[bis(dimethylamino)-(1-iodopropan-2-yl)stannyl]-N-methylmethanamine

C9H24IN3Sn — CID 172682615

IUPACN-[bis(dimethylamino)-(1-iodopropan-2-yl)stannyl]-N-methylmethanamine
SMILESCC(CI)[Sn](N(C)C)(N(C)C)N(C)C
InChIInChI=1S/C3H6I.3C2H6N.Sn/c1-2-3-4;3*1-3-2;/h2H,3H2,1H3;3*1-2H3;/q;3*-1;+3
InChIKeyAPMLBOKNKNXUAA-UHFFFAOYSA-N
MW419.93 g/mol
LogP1.44
Rot. Bonds5

About N-[bis(dimethylamino)-(1-iodopropan-2-yl)stannyl]-N-methylmethanamine

N-[bis(dimethylamino)-(1-iodopropan-2-yl)stannyl]-N-methylmethanamine (PubChem CID 172682615) has the molecular formula C9H24IN3Sn and a molecular weight of 419.93 g/mol. Its IUPAC name is N-[bis(dimethylamino)-(1-iodopropan-2-yl)stannyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[bis(dimethylamino)-(1-iodopropan-2-yl)stannyl]-N-methylmethanamine
PubChem CID172682615
Molecular FormulaC9H24IN3Sn
Molecular Weight419.93 g/mol
Exact Mass421.00
IUPAC NameN-[bis(dimethylamino)-(1-iodopropan-2-yl)stannyl]-N-methylmethanamine
SMILESCC(CI)[Sn](N(C)C)(N(C)C)N(C)C
InChIInChI=1S/C3H6I.3C2H6N.Sn/c1-2-3-4;3*1-3-2;/h2H,3H2,1H3;3*1-2H3;/q;3*-1;+3
InChIKeyAPMLBOKNKNXUAA-UHFFFAOYSA-N
XLogP1.44
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.93
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-iodo-2-methylpropane;hydrofluoride
CID 174557152
1,4-diiodo-2,3-dimethylbutane
CID 21200721
1-bromo-3-iodo-2-methylpropane
CID 138692609
2-fluoro-N-(iodomethyl)-N-methylpropan-1-amine
CID 170275915
2-bromo-1-iodopropane
CID 12596098
(2S)-1-iodopropan-2-amine
CID 89094739
N-[2-(iodomethoxy)ethyl]-N,2-dimethylpropan-1-amine
CID 135254240
ethane;N-ethyl-N,2-dimethylpropan-1-amine
CID 143400672
4-fluoro-N-methyl-N-(2-methylpropyl)butan-1-amine
CID 126593992
N-(iodomethyl)-N-methylethanamine
CID 90317117
N-(2,2-difluoroethyl)-N,2-dimethylpropan-1-amine
CID 126663851
N-(2-fluoropropyl)-N,2-dimethylpropan-1-amine
CID 177032219

Frequently Asked Questions

What is the IUPAC name of N-[bis(dimethylamino)-(1-iodopropan-2-yl)stannyl]-N-methylmethanamine?
The IUPAC name of N-[bis(dimethylamino)-(1-iodopropan-2-yl)stannyl]-N-methylmethanamine (CID 172682615) is N-[bis(dimethylamino)-(1-iodopropan-2-yl)stannyl]-N-methylmethanamine.
What is the SMILES notation for N-[bis(dimethylamino)-(1-iodopropan-2-yl)stannyl]-N-methylmethanamine?
The canonical SMILES for N-[bis(dimethylamino)-(1-iodopropan-2-yl)stannyl]-N-methylmethanamine is CC(CI)[Sn](N(C)C)(N(C)C)N(C)C.
What is the InChIKey of N-[bis(dimethylamino)-(1-iodopropan-2-yl)stannyl]-N-methylmethanamine?
The InChIKey is APMLBOKNKNXUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6I.3C2H6N.Sn/c1-2-3-4;3*1-3-2;/h2H,3H2,1H3;3*1-2H3;/q;3*-1;+3.
What are the key properties of N-[bis(dimethylamino)-(1-iodopropan-2-yl)stannyl]-N-methylmethanamine?
N-[bis(dimethylamino)-(1-iodopropan-2-yl)stannyl]-N-methylmethanamine has a molecular weight of 419.93 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(dimethylamino)-(1-iodopropan-2-yl)stannyl]-N-methylmethanamine is sourced from PubChem (CID 172682615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).