N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-ethoxypyridin-2-amine

C13H20N2O3 — CID 107389367

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-ethoxypyridin-2-amine
SMILESCCOc1cccnc1NCC1COC(C)(C)O1
InChIInChI=1S/C13H20N2O3/c1-4-16-11-6-5-7-14-12(11)15-8-10-9-17-13(2,3)18-10/h5-7,10H,4,8-9H2,1-3H3,(H,14,15)
InChIKeyKAPCDKMNCYKDBU-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.04
Rot. Bonds5

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-ethoxypyridin-2-amine

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-ethoxypyridin-2-amine (PubChem CID 107389367) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-ethoxypyridin-2-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-ethoxypyridin-2-amine
PubChem CID107389367
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-ethoxypyridin-2-amine
SMILESCCOc1cccnc1NCC1COC(C)(C)O1
InChIInChI=1S/C13H20N2O3/c1-4-16-11-6-5-7-14-12(11)15-8-10-9-17-13(2,3)18-10/h5-7,10H,4,8-9H2,1-3H3,(H,14,15)
InChIKeyKAPCDKMNCYKDBU-UHFFFAOYSA-N
XLogP2.04
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-ethoxypyridin-2-amine?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-ethoxypyridin-2-amine (CID 107389367) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-ethoxypyridin-2-amine.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-ethoxypyridin-2-amine?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-ethoxypyridin-2-amine is CCOc1cccnc1NCC1COC(C)(C)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-ethoxypyridin-2-amine?
The InChIKey is KAPCDKMNCYKDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-16-11-6-5-7-14-12(11)15-8-10-9-17-13(2,3)18-10/h5-7,10H,4,8-9H2,1-3H3,(H,14,15).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-ethoxypyridin-2-amine?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-ethoxypyridin-2-amine has a molecular weight of 252.31 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-ethoxypyridin-2-amine is sourced from PubChem (CID 107389367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).