2-cyclopentyloxy-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine

C14H22N2O2 — CID 114936757

IUPAC2-cyclopentyloxy-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
SMILESCOc1ccc(CNCCOC2CCCC2)cn1
InChIInChI=1S/C14H22N2O2/c1-17-14-7-6-12(11-16-14)10-15-8-9-18-13-4-2-3-5-13/h6-7,11,13,15H,2-5,8-10H2,1H3
InChIKeyJSNAXIXFSQOAMY-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.14
Rot. Bonds7

About 2-cyclopentyloxy-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine

2-cyclopentyloxy-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine (PubChem CID 114936757) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-cyclopentyloxy-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclopentyloxy-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
PubChem CID114936757
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-cyclopentyloxy-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
SMILESCOc1ccc(CNCCOC2CCCC2)cn1
InChIInChI=1S/C14H22N2O2/c1-17-14-7-6-12(11-16-14)10-15-8-9-18-13-4-2-3-5-13/h6-7,11,13,15H,2-5,8-10H2,1H3
InChIKeyJSNAXIXFSQOAMY-UHFFFAOYSA-N
XLogP2.14
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyloxy-1-(6-methoxy-3-pyridinyl)methanamine
CID 114936879
3-(cyclopropylmethoxy)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 114936367
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine
CID 28712170
2-cyclopentyloxy-N-[(4-cyclopropylphenyl)methyl]ethanamine
CID 79983771
1-(3-cyclopentyloxypropyl)-3-(6-methoxy-3-pyridinyl)thiourea
CID 100701010
N-[(6-methoxy-3-pyridinyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 114936359
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpentan-1-amine
CID 83156007
N-[(6-cycloheptyloxy-3-pyridinyl)methyl]ethanamine
CID 62298054
2-cyclohexyloxy-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine
CID 63824614
N-cyclopropyl-3-[(6-methoxy-3-pyridinyl)methylamino]propanamide
CID 55141324
N-[(6-methoxy-3-pyridinyl)methyl]-1-(thiolan-2-yl)methanamine
CID 114936829
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine
CID 28712781

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine?
The IUPAC name of 2-cyclopentyloxy-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine (CID 114936757) is 2-cyclopentyloxy-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 2-cyclopentyloxy-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for 2-cyclopentyloxy-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine is COc1ccc(CNCCOC2CCCC2)cn1.
What is the InChIKey of 2-cyclopentyloxy-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine?
The InChIKey is JSNAXIXFSQOAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-17-14-7-6-12(11-16-14)10-15-8-9-18-13-4-2-3-5-13/h6-7,11,13,15H,2-5,8-10H2,1H3.
What are the key properties of 2-cyclopentyloxy-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine?
2-cyclopentyloxy-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine has a molecular weight of 250.34 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 114936757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).