3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine

C12H18N2O2 — CID 104871414

IUPAC3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine
SMILESCOc1cc(CNC2CC(OC)C2)ccn1
InChIInChI=1S/C12H18N2O2/c1-15-11-6-10(7-11)14-8-9-3-4-13-12(5-9)16-2/h3-5,10-11,14H,6-8H2,1-2H3
InChIKeyNQECBBFEPDMUFG-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.36
Rot. Bonds5

About 3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine

3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine (PubChem CID 104871414) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine
PubChem CID104871414
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine
SMILESCOc1cc(CNC2CC(OC)C2)ccn1
InChIInChI=1S/C12H18N2O2/c1-15-11-6-10(7-11)14-8-9-3-4-13-12(5-9)16-2/h3-5,10-11,14H,6-8H2,1-2H3
InChIKeyNQECBBFEPDMUFG-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine
CID 62991827
3-(3-bromophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine
CID 62992022
N-[(2-methoxy-4-pyridinyl)methyl]azepan-4-amine
CID 113361573
N-[(2-methoxy-4-pyridinyl)methyl]-1,2-dimethylpiperidin-4-amine
CID 81297222
3-methoxy-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 104587932
5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 81298226
3-methoxy-N-[(3-methoxyphenyl)methyl]cyclobutan-1-amine
CID 104587979
N-[(2-methoxy-4-pyridinyl)methyl]-1-prop-2-ynylpiperidin-4-amine
CID 62990035
1-(2-methoxy-4-pyridinyl)-N-methylmethanamine;hydrochloride
CID 154963549
3-[(2-methoxy-4-pyridinyl)methylamino]-1-methylpyrrolidine-2,5-dione
CID 62991848
3-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine
CID 104587859
N-[(2-methoxy-4-pyridinyl)methyl]cyclohex-2-en-1-amine
CID 107906947

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine (CID 104871414) is 3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine is COc1cc(CNC2CC(OC)C2)ccn1.
What is the InChIKey of 3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine?
The InChIKey is NQECBBFEPDMUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-15-11-6-10(7-11)14-8-9-3-4-13-12(5-9)16-2/h3-5,10-11,14H,6-8H2,1-2H3.
What are the key properties of 3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine?
3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine has a molecular weight of 222.29 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 104871414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).