N-[pyridin-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine

C17H28N2O — CID 114622846

IUPACN-[pyridin-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccnc1)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C17H28N2O/c1-6-9-19-15(13-8-7-10-18-12-13)14-11-16(2,3)20-17(14,4)5/h7-8,10,12,14-15,19H,6,9,11H2,1-5H3
InChIKeyBJJZSJGBWTZRSS-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.72
Rot. Bonds5

About N-[pyridin-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine

N-[pyridin-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine (PubChem CID 114622846) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[pyridin-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[pyridin-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
PubChem CID114622846
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[pyridin-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccnc1)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C17H28N2O/c1-6-9-19-15(13-8-7-10-18-12-13)14-11-16(2,3)20-17(14,4)5/h7-8,10,12,14-15,19H,6,9,11H2,1-5H3
InChIKeyBJJZSJGBWTZRSS-UHFFFAOYSA-N
XLogP3.72
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 114622794
N-[(5-methylpyrazin-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 105189181
N-[(2,2,5,5-tetramethyloxolan-3-yl)-(thiadiazol-5-yl)methyl]propan-1-amine
CID 105189225
N-[(2-bromofuran-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 106858824
N-[(5-ethylthiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 105052858
N-[oxolan-3-yl(pyridin-3-yl)methyl]propan-1-amine
CID 63565500
N-[(3-methylcyclopentyl)-pyridin-3-ylmethyl]propan-1-amine
CID 65413186
N-[(1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 107977782
N-[(2-methyloxolan-3-yl)-pyridin-3-ylmethyl]propan-1-amine
CID 115799745
N-[(4-propylcyclohexyl)-pyridin-3-ylmethyl]propan-1-amine
CID 65425134
N-[(3-fluoro-4-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
CID 114623400
N-[2-pyridin-2-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]propan-1-amine
CID 114622871

Frequently Asked Questions

What is the IUPAC name of N-[pyridin-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[pyridin-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine (CID 114622846) is N-[pyridin-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[pyridin-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[pyridin-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine is CCCNC(c1cccnc1)C1CC(C)(C)OC1(C)C.
What is the InChIKey of N-[pyridin-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine?
The InChIKey is BJJZSJGBWTZRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-6-9-19-15(13-8-7-10-18-12-13)14-11-16(2,3)20-17(14,4)5/h7-8,10,12,14-15,19H,6,9,11H2,1-5H3.
What are the key properties of N-[pyridin-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine?
N-[pyridin-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[pyridin-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 114622846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).