N-cyclopentyloxy-1-(6-methoxy-3-pyridinyl)methanamine

C12H18N2O2 — CID 114936879

IUPACN-cyclopentyloxy-1-(6-methoxy-3-pyridinyl)methanamine
SMILESCOc1ccc(CNOC2CCCC2)cn1
InChIInChI=1S/C12H18N2O2/c1-15-12-7-6-10(8-13-12)9-14-16-11-4-2-3-5-11/h6-8,11,14H,2-5,9H2,1H3
InChIKeyNCHNAYSRYHVKCS-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.05
Rot. Bonds5

About N-cyclopentyloxy-1-(6-methoxy-3-pyridinyl)methanamine

N-cyclopentyloxy-1-(6-methoxy-3-pyridinyl)methanamine (PubChem CID 114936879) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-cyclopentyloxy-1-(6-methoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-cyclopentyloxy-1-(6-methoxy-3-pyridinyl)methanamine
PubChem CID114936879
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-cyclopentyloxy-1-(6-methoxy-3-pyridinyl)methanamine
SMILESCOc1ccc(CNOC2CCCC2)cn1
InChIInChI=1S/C12H18N2O2/c1-15-12-7-6-10(8-13-12)9-14-16-11-4-2-3-5-11/h6-8,11,14H,2-5,9H2,1H3
InChIKeyNCHNAYSRYHVKCS-UHFFFAOYSA-N
XLogP2.05
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyloxy-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 114936757
N-ethoxy-1-(6-methoxy-3-pyridinyl)methanamine
CID 115685988
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylcycloheptan-1-amine
CID 65081064
N-cyclopentyloxy-1-(4-methylphenyl)methanamine
CID 83229470
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylcyclopropan-1-amine
CID 114936732
N-[(6-methoxy-3-pyridinyl)methyl]adamantan-1-amine
CID 114936254
N-[(6-cycloheptyloxy-3-pyridinyl)methyl]ethanamine
CID 62298054
2-[(6-methoxy-3-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 60940395
N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxan-3-yl)methanamine
CID 55241639
[1-cyclohexyl-2-(6-methoxy-3-pyridinyl)ethyl]hydrazine
CID 105250515
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
4-[(cyclopentyloxyamino)methyl]phenol
CID 83229024

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-1-(6-methoxy-3-pyridinyl)methanamine?
The IUPAC name of N-cyclopentyloxy-1-(6-methoxy-3-pyridinyl)methanamine (CID 114936879) is N-cyclopentyloxy-1-(6-methoxy-3-pyridinyl)methanamine.
What is the SMILES notation for N-cyclopentyloxy-1-(6-methoxy-3-pyridinyl)methanamine?
The canonical SMILES for N-cyclopentyloxy-1-(6-methoxy-3-pyridinyl)methanamine is COc1ccc(CNOC2CCCC2)cn1.
What is the InChIKey of N-cyclopentyloxy-1-(6-methoxy-3-pyridinyl)methanamine?
The InChIKey is NCHNAYSRYHVKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-15-12-7-6-10(8-13-12)9-14-16-11-4-2-3-5-11/h6-8,11,14H,2-5,9H2,1H3.
What are the key properties of N-cyclopentyloxy-1-(6-methoxy-3-pyridinyl)methanamine?
N-cyclopentyloxy-1-(6-methoxy-3-pyridinyl)methanamine has a molecular weight of 222.29 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-1-(6-methoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 114936879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).