(5-amino-2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridin-3-yl) methyl carbonate;hydrochloride

C12H21ClN2O3 — CID 70354794

IUPAC(5-amino-2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridin-3-yl) methyl carbonate;hydrochloride
SMILESCOC(=O)OC1=C(C)NC(C)=C(N)C1C(C)C.Cl
InChIInChI=1S/C12H20N2O3.ClH/c1-6(2)9-10(13)7(3)14-8(4)11(9)17-12(15)16-5;/h6,9,14H,13H2,1-5H3;1H
InChIKeyZXAWJGGLCIJQHO-UHFFFAOYSA-N
MW276.76 g/mol
LogP2.49
Rot. Bonds2

About (5-amino-2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridin-3-yl) methyl carbonate;hydrochloride

(5-amino-2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridin-3-yl) methyl carbonate;hydrochloride (PubChem CID 70354794) has the molecular formula C12H21ClN2O3 and a molecular weight of 276.76 g/mol. Its IUPAC name is (5-amino-2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridin-3-yl) methyl carbonate;hydrochloride.

Molecular Properties

Compound Name(5-amino-2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridin-3-yl) methyl carbonate;hydrochloride
PubChem CID70354794
Molecular FormulaC12H21ClN2O3
Molecular Weight276.76 g/mol
Exact Mass276.12
IUPAC Name(5-amino-2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridin-3-yl) methyl carbonate;hydrochloride
SMILESCOC(=O)OC1=C(C)NC(C)=C(N)C1C(C)C.Cl
InChIInChI=1S/C12H20N2O3.ClH/c1-6(2)9-10(13)7(3)14-8(4)11(9)17-12(15)16-5;/h6,9,14H,13H2,1-5H3;1H
InChIKeyZXAWJGGLCIJQHO-UHFFFAOYSA-N
XLogP2.49
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-amino-2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridin-3-yl) methyl carbonate;hydrochloride?
The IUPAC name of (5-amino-2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridin-3-yl) methyl carbonate;hydrochloride (CID 70354794) is (5-amino-2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridin-3-yl) methyl carbonate;hydrochloride.
What is the SMILES notation for (5-amino-2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridin-3-yl) methyl carbonate;hydrochloride?
The canonical SMILES for (5-amino-2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridin-3-yl) methyl carbonate;hydrochloride is COC(=O)OC1=C(C)NC(C)=C(N)C1C(C)C.Cl.
What is the InChIKey of (5-amino-2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridin-3-yl) methyl carbonate;hydrochloride?
The InChIKey is ZXAWJGGLCIJQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3.ClH/c1-6(2)9-10(13)7(3)14-8(4)11(9)17-12(15)16-5;/h6,9,14H,13H2,1-5H3;1H.
What are the key properties of (5-amino-2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridin-3-yl) methyl carbonate;hydrochloride?
(5-amino-2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridin-3-yl) methyl carbonate;hydrochloride has a molecular weight of 276.76 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridin-3-yl) methyl carbonate;hydrochloride is sourced from PubChem (CID 70354794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).