1-(5-ethoxy-3-pyridinyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine

C14H22N2O2 — CID 105026304

IUPAC1-(5-ethoxy-3-pyridinyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
SMILESCCOc1cncc(C(NC)C2CCC(C)O2)c1
InChIInChI=1S/C14H22N2O2/c1-4-17-12-7-11(8-16-9-12)14(15-3)13-6-5-10(2)18-13/h7-10,13-15H,4-6H2,1-3H3
InChIKeyHUCWLUSPYOCUTR-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.31
Rot. Bonds5

About 1-(5-ethoxy-3-pyridinyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine

1-(5-ethoxy-3-pyridinyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine (PubChem CID 105026304) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(5-ethoxy-3-pyridinyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name1-(5-ethoxy-3-pyridinyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
PubChem CID105026304
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(5-ethoxy-3-pyridinyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
SMILESCCOc1cncc(C(NC)C2CCC(C)O2)c1
InChIInChI=1S/C14H22N2O2/c1-4-17-12-7-11(8-16-9-12)14(15-3)13-6-5-10(2)18-13/h7-10,13-15H,4-6H2,1-3H3
InChIKeyHUCWLUSPYOCUTR-UHFFFAOYSA-N
XLogP2.31
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(5-methyloxolan-2-yl)-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026718
N-[(5-methyloxolan-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 105027443
N-[(5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107190527
[(5-ethoxy-3-pyridinyl)-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105330016
1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine
CID 105175436
[(5-fluoro-3-pyridinyl)-(5-methyloxolan-2-yl)methyl]hydrazine
CID 105288195
1-(5-ethoxy-3-pyridinyl)-2,2-difluoro-N-methylethanamine
CID 103517001
N-methyl-1-(5-methyloxolan-2-yl)-1-naphthalen-2-ylmethanamine
CID 115850967
N-methyl-1-(5-methyloxolan-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine
CID 81329924
1-(5-ethoxy-3-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116767768
1-(3,5-dimethylphenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine
CID 105026319
1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 81330123

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-3-pyridinyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine?
The IUPAC name of 1-(5-ethoxy-3-pyridinyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine (CID 105026304) is 1-(5-ethoxy-3-pyridinyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine.
What is the SMILES notation for 1-(5-ethoxy-3-pyridinyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine?
The canonical SMILES for 1-(5-ethoxy-3-pyridinyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine is CCOc1cncc(C(NC)C2CCC(C)O2)c1.
What is the InChIKey of 1-(5-ethoxy-3-pyridinyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine?
The InChIKey is HUCWLUSPYOCUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-17-12-7-11(8-16-9-12)14(15-3)13-6-5-10(2)18-13/h7-10,13-15H,4-6H2,1-3H3.
What are the key properties of 1-(5-ethoxy-3-pyridinyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine?
1-(5-ethoxy-3-pyridinyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine has a molecular weight of 250.34 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxy-3-pyridinyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 105026304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).