N-(1-methyl-5-trimethylstannyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide

C13H26N2O2Sn — CID 145183032

IUPACN-(1-methyl-5-trimethylstannyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide
SMILESCCCON(C=O)C1C=C([Sn](C)(C)C)CN(C)C1
InChIInChI=1S/C10H17N2O2.3CH3.Sn/c1-3-7-14-12(9-13)10-5-4-6-11(2)8-10;;;;/h5,9-10H,3,6-8H2,1-2H3;3*1H3;
InChIKeyURDJEJLAOLREGN-UHFFFAOYSA-N
MW361.07 g/mol
LogP1.90
Rot. Bonds6

About N-(1-methyl-5-trimethylstannyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide

N-(1-methyl-5-trimethylstannyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide (PubChem CID 145183032) has the molecular formula C13H26N2O2Sn and a molecular weight of 361.07 g/mol. Its IUPAC name is N-(1-methyl-5-trimethylstannyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide.

Molecular Properties

Compound NameN-(1-methyl-5-trimethylstannyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide
PubChem CID145183032
Molecular FormulaC13H26N2O2Sn
Molecular Weight361.07 g/mol
Exact Mass362.10
IUPAC NameN-(1-methyl-5-trimethylstannyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide
SMILESCCCON(C=O)C1C=C([Sn](C)(C)C)CN(C)C1
InChIInChI=1S/C10H17N2O2.3CH3.Sn/c1-3-7-14-12(9-13)10-5-4-6-11(2)8-10;;;;/h5,9-10H,3,6-8H2,1-2H3;3*1H3;
InChIKeyURDJEJLAOLREGN-UHFFFAOYSA-N
XLogP1.90
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.07
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-(1-methyl-5-trimethylstannyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide?
The IUPAC name of N-(1-methyl-5-trimethylstannyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide (CID 145183032) is N-(1-methyl-5-trimethylstannyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide.
What is the SMILES notation for N-(1-methyl-5-trimethylstannyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide?
The canonical SMILES for N-(1-methyl-5-trimethylstannyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide is CCCON(C=O)C1C=C([Sn](C)(C)C)CN(C)C1.
What is the InChIKey of N-(1-methyl-5-trimethylstannyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide?
The InChIKey is URDJEJLAOLREGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N2O2.3CH3.Sn/c1-3-7-14-12(9-13)10-5-4-6-11(2)8-10;;;;/h5,9-10H,3,6-8H2,1-2H3;3*1H3;.
What are the key properties of N-(1-methyl-5-trimethylstannyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide?
N-(1-methyl-5-trimethylstannyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide has a molecular weight of 361.07 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-5-trimethylstannyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide is sourced from PubChem (CID 145183032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).