1-(3-ethyl-2-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

C17H28N2O — CID 114623446

IUPAC1-(3-ethyl-2-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCCc1cccnc1C(NC)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C17H28N2O/c1-7-12-9-8-10-19-14(12)15(18-6)13-11-16(2,3)20-17(13,4)5/h8-10,13,15,18H,7,11H2,1-6H3
InChIKeyZBMORMPVMCTAAX-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.50
Rot. Bonds4

About 1-(3-ethyl-2-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

1-(3-ethyl-2-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (PubChem CID 114623446) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(3-ethyl-2-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name1-(3-ethyl-2-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
PubChem CID114623446
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(3-ethyl-2-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCCc1cccnc1C(NC)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C17H28N2O/c1-7-12-9-8-10-19-14(12)15(18-6)13-11-16(2,3)20-17(13,4)5/h8-10,13,15,18H,7,11H2,1-6H3
InChIKeyZBMORMPVMCTAAX-UHFFFAOYSA-N
XLogP3.50
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 103444028
1-(4-bromophenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114622787
[(2-methoxy-3-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105341654
N-[pyridin-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 114622846
N-[(6-methyl-3-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
CID 105189219
2-(2,3-difluorophenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 105052763
2-cyclobutyl-1-(3-ethyl-2-pyridinyl)-N-methylethanamine
CID 82729632
1-(2,4-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052789
1-(3-ethyl-2-pyridinyl)-N,2-dimethylprop-2-en-1-amine
CID 82730525
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea
CID 75473008
N-[(3-fluoro-4-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
CID 114623400
N-[(2,3-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
CID 105052792

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The IUPAC name of 1-(3-ethyl-2-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (CID 114623446) is 1-(3-ethyl-2-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.
What is the SMILES notation for 1-(3-ethyl-2-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The canonical SMILES for 1-(3-ethyl-2-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is CCc1cccnc1C(NC)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 1-(3-ethyl-2-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The InChIKey is ZBMORMPVMCTAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-7-12-9-8-10-19-14(12)15(18-6)13-11-16(2,3)20-17(13,4)5/h8-10,13,15,18H,7,11H2,1-6H3.
What are the key properties of 1-(3-ethyl-2-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
1-(3-ethyl-2-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine has a molecular weight of 276.42 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is sourced from PubChem (CID 114623446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).