(3S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2,2,5,5-tetramethyloxolan-3-amine

C17H28N2O3 — CID 97230209

IUPAC(3S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCOCCOc1ccc(CN[C@H]2CC(C)(C)OC2(C)C)cn1
InChIInChI=1S/C17H28N2O3/c1-16(2)10-14(17(3,4)22-16)18-11-13-6-7-15(19-12-13)21-9-8-20-5/h6-7,12,14,18H,8-11H2,1-5H3/t14-/m0/s1
InChIKeyMONBFPLUQKSHGF-AWEZNQCLSA-N
MW308.42 g/mol
LogP2.54
Rot. Bonds7

About (3S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2,2,5,5-tetramethyloxolan-3-amine

(3S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 97230209) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is (3S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound Name(3S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID97230209
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name(3S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCOCCOc1ccc(CN[C@H]2CC(C)(C)OC2(C)C)cn1
InChIInChI=1S/C17H28N2O3/c1-16(2)10-14(17(3,4)22-16)18-11-13-6-7-15(19-12-13)21-9-8-20-5/h6-7,12,14,18H,8-11H2,1-5H3/t14-/m0/s1
InChIKeyMONBFPLUQKSHGF-AWEZNQCLSA-N
XLogP2.54
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,5,5-tetramethyl-N-[(6-methyl-3-pyridinyl)methyl]oxolan-3-amine
CID 79928608
2,2,5,5-tetramethyl-N-(1H-pyrazol-4-ylmethyl)oxolan-3-amine
CID 79927637
4-[[(2,2,5,5-tetramethyloxolan-3-yl)amino]methyl]pyridin-2-amine
CID 136535179
ethane;5-ethyl-2-(2-methoxyethoxy)pyridine
CID 144506975
(3R)-2,2,5,5-tetramethyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]oxolan-3-amine
CID 97102338
(2S,3R)-4-methoxy-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-methylbutan-2-amine
CID 97341149
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]furan-2-carboxamide
CID 47042423
N-(furan-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79915639
N-[(3-chlorophenyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 79928164
(3R)-2,2,5,5-tetramethyl-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]oxolan-3-amine
CID 97108645
1-cyclohexyl-3-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 110957494
1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea
CID 55749404

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of (3S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2,2,5,5-tetramethyloxolan-3-amine (CID 97230209) is (3S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for (3S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for (3S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2,2,5,5-tetramethyloxolan-3-amine is COCCOc1ccc(CN[C@H]2CC(C)(C)OC2(C)C)cn1.
What is the InChIKey of (3S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is MONBFPLUQKSHGF-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-16(2)10-14(17(3,4)22-16)18-11-13-6-7-15(19-12-13)21-9-8-20-5/h6-7,12,14,18H,8-11H2,1-5H3/t14-/m0/s1.
What are the key properties of (3S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2,2,5,5-tetramethyloxolan-3-amine?
(3S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 308.42 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 97230209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).