(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-trimethylstannane

C12H25NSn — CID 22648177

IUPAC(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-trimethylstannane
SMILESCC(C)(C)N1CC=C([Sn](C)(C)C)CC1
InChIInChI=1S/C9H16N.3CH3.Sn/c1-9(2,3)10-7-5-4-6-8-10;;;;/h5H,6-8H2,1-3H3;3*1H3;
InChIKeyOBYQKDCBJLUUDH-UHFFFAOYSA-N
MW302.05 g/mol
LogP3.29
Rot. Bonds1

About (1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-trimethylstannane

(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-trimethylstannane (PubChem CID 22648177) has the molecular formula C12H25NSn and a molecular weight of 302.05 g/mol. Its IUPAC name is (1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-trimethylstannane.

Molecular Properties

Compound Name(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-trimethylstannane
PubChem CID22648177
Molecular FormulaC12H25NSn
Molecular Weight302.05 g/mol
Exact Mass303.10
IUPAC Name(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-trimethylstannane
SMILESCC(C)(C)N1CC=C([Sn](C)(C)C)CC1
InChIInChI=1S/C9H16N.3CH3.Sn/c1-9(2,3)10-7-5-4-6-8-10;;;;/h5H,6-8H2,1-3H3;3*1H3;
InChIKeyOBYQKDCBJLUUDH-UHFFFAOYSA-N
XLogP3.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.05
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-trimethylstannane?
The IUPAC name of (1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-trimethylstannane (CID 22648177) is (1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-trimethylstannane.
What is the SMILES notation for (1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-trimethylstannane?
The canonical SMILES for (1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-trimethylstannane is CC(C)(C)N1CC=C([Sn](C)(C)C)CC1.
What is the InChIKey of (1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-trimethylstannane?
The InChIKey is OBYQKDCBJLUUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N.3CH3.Sn/c1-9(2,3)10-7-5-4-6-8-10;;;;/h5H,6-8H2,1-3H3;3*1H3;.
What are the key properties of (1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-trimethylstannane?
(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-trimethylstannane has a molecular weight of 302.05 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-trimethylstannane is sourced from PubChem (CID 22648177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).