5-butylnonan-5-yl-[2-[2-(methylamino)ethoxy]-3-pyridinyl]tin

C21H38N2OSn — CID 141210173

IUPAC5-butylnonan-5-yl-[2-[2-(methylamino)ethoxy]-3-pyridinyl]tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1cccnc1OCCNC
InChIInChI=1S/C13H27.C8H11N2O.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-9-6-7-11-8-4-2-3-5-10-8;/h4-12H2,1-3H3;2-3,5,9H,6-7H2,1H3;
InChIKeyVANKTTBUMTZWTI-UHFFFAOYSA-N
MW453.26 g/mol
LogP4.74
Rot. Bonds15

About 5-butylnonan-5-yl-[2-[2-(methylamino)ethoxy]-3-pyridinyl]tin

5-butylnonan-5-yl-[2-[2-(methylamino)ethoxy]-3-pyridinyl]tin (PubChem CID 141210173) has the molecular formula C21H38N2OSn and a molecular weight of 453.26 g/mol. Its IUPAC name is 5-butylnonan-5-yl-[2-[2-(methylamino)ethoxy]-3-pyridinyl]tin.

Molecular Properties

Compound Name5-butylnonan-5-yl-[2-[2-(methylamino)ethoxy]-3-pyridinyl]tin
PubChem CID141210173
Molecular FormulaC21H38N2OSn
Molecular Weight453.26 g/mol
Exact Mass454.20
IUPAC Name5-butylnonan-5-yl-[2-[2-(methylamino)ethoxy]-3-pyridinyl]tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1cccnc1OCCNC
InChIInChI=1S/C13H27.C8H11N2O.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-9-6-7-11-8-4-2-3-5-10-8;/h4-12H2,1-3H3;2-3,5,9H,6-7H2,1H3;
InChIKeyVANKTTBUMTZWTI-UHFFFAOYSA-N
XLogP4.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.26
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[(3-methyl-2-pyridinyl)oxy]ethanamine
CID 62348489
N-methyl-1-(2-pentoxy-3-pyridinyl)methanamine
CID 62292620
5-butylnonan-5-yl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]tin
CID 162372933
(2-butoxy-3-pyridinyl)boronic acid
CID 56776625
2,3-didecoxypyridine
CID 151922374
1-[2-(2-butoxyethoxy)-3-pyridinyl]-N-methylethanamine
CID 114056646
N-[(2-heptoxy-3-pyridinyl)methyl]propan-1-amine
CID 63490010
N-methyl-2-pyrazolo[1,5-a]pyrazin-4-yloxyethanamine
CID 104733451
[2-(3-butoxypropylamino)-3-pyridinyl]methanol
CID 82341843
tert-butyl N-[3-[[N-[(2-butoxy-3-pyridinyl)methyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111886374
5-butylnonan-5-yl-(4-methoxy-2-pyridinyl)tin
CID 141269215
(2-octoxy-3-pyridinyl)boronic acid
CID 57324718

Frequently Asked Questions

What is the IUPAC name of 5-butylnonan-5-yl-[2-[2-(methylamino)ethoxy]-3-pyridinyl]tin?
The IUPAC name of 5-butylnonan-5-yl-[2-[2-(methylamino)ethoxy]-3-pyridinyl]tin (CID 141210173) is 5-butylnonan-5-yl-[2-[2-(methylamino)ethoxy]-3-pyridinyl]tin.
What is the SMILES notation for 5-butylnonan-5-yl-[2-[2-(methylamino)ethoxy]-3-pyridinyl]tin?
The canonical SMILES for 5-butylnonan-5-yl-[2-[2-(methylamino)ethoxy]-3-pyridinyl]tin is CCCCC(CCCC)(CCCC)[Sn]c1cccnc1OCCNC.
What is the InChIKey of 5-butylnonan-5-yl-[2-[2-(methylamino)ethoxy]-3-pyridinyl]tin?
The InChIKey is VANKTTBUMTZWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27.C8H11N2O.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-9-6-7-11-8-4-2-3-5-10-8;/h4-12H2,1-3H3;2-3,5,9H,6-7H2,1H3;.
What are the key properties of 5-butylnonan-5-yl-[2-[2-(methylamino)ethoxy]-3-pyridinyl]tin?
5-butylnonan-5-yl-[2-[2-(methylamino)ethoxy]-3-pyridinyl]tin has a molecular weight of 453.26 g/mol, XLogP of 4.74, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylnonan-5-yl-[2-[2-(methylamino)ethoxy]-3-pyridinyl]tin is sourced from PubChem (CID 141210173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).