1-N-[6-(2-methoxyethoxy)-3-pyridinyl]cyclobutane-1,3-diamine

C12H19N3O2 — CID 80559905

IUPAC1-N-[6-(2-methoxyethoxy)-3-pyridinyl]cyclobutane-1,3-diamine
SMILESCOCCOc1ccc(NC2CC(N)C2)cn1
InChIInChI=1S/C12H19N3O2/c1-16-4-5-17-12-3-2-10(8-14-12)15-11-6-9(13)7-11/h2-3,8-9,11,15H,4-7,13H2,1H3
InChIKeyGREJDDIVPANDSW-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.01
Rot. Bonds6

About 1-N-[6-(2-methoxyethoxy)-3-pyridinyl]cyclobutane-1,3-diamine

1-N-[6-(2-methoxyethoxy)-3-pyridinyl]cyclobutane-1,3-diamine (PubChem CID 80559905) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-N-[6-(2-methoxyethoxy)-3-pyridinyl]cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-[6-(2-methoxyethoxy)-3-pyridinyl]cyclobutane-1,3-diamine
PubChem CID80559905
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-N-[6-(2-methoxyethoxy)-3-pyridinyl]cyclobutane-1,3-diamine
SMILESCOCCOc1ccc(NC2CC(N)C2)cn1
InChIInChI=1S/C12H19N3O2/c1-16-4-5-17-12-3-2-10(8-14-12)15-11-6-9(13)7-11/h2-3,8-9,11,15H,4-7,13H2,1H3
InChIKeyGREJDDIVPANDSW-UHFFFAOYSA-N
XLogP1.01
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N-[4-(2-methoxyethoxy)phenyl]cyclobutane-1,3-diamine
CID 80560810
6-(2-methoxyethoxy)-N-(thian-4-yl)pyridin-3-amine
CID 43688439
N-(1-cyclohexylethyl)-6-(2-methoxyethoxy)pyridin-3-amine
CID 43782133
6-(2-methoxyethoxy)-N-prop-2-ynylpyridin-3-amine
CID 63951273
2-[[5-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]-2-pyridinyl]oxy]ethanol
CID 110011644
N-(3,3-dimethylbutyl)-6-(2-methoxyethoxy)pyridin-3-amine
CID 62950387
N-[6-(2-methoxyethoxy)-3-pyridinyl]propane-1-sulfonamide
CID 64591758
3-(cyclopropylamino)-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 60867259
6-(2-methoxyethoxy)-N-(3-methylbutyl)pyridin-3-amine
CID 43688362
N'-tert-butyl-N-[6-(2-methoxyethoxy)-3-pyridinyl]ethane-1,2-diamine
CID 107444977
2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 43704147
6-(2-methoxyethoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridin-3-amine
CID 115466148

Frequently Asked Questions

What is the IUPAC name of 1-N-[6-(2-methoxyethoxy)-3-pyridinyl]cyclobutane-1,3-diamine?
The IUPAC name of 1-N-[6-(2-methoxyethoxy)-3-pyridinyl]cyclobutane-1,3-diamine (CID 80559905) is 1-N-[6-(2-methoxyethoxy)-3-pyridinyl]cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-[6-(2-methoxyethoxy)-3-pyridinyl]cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-[6-(2-methoxyethoxy)-3-pyridinyl]cyclobutane-1,3-diamine is COCCOc1ccc(NC2CC(N)C2)cn1.
What is the InChIKey of 1-N-[6-(2-methoxyethoxy)-3-pyridinyl]cyclobutane-1,3-diamine?
The InChIKey is GREJDDIVPANDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-16-4-5-17-12-3-2-10(8-14-12)15-11-6-9(13)7-11/h2-3,8-9,11,15H,4-7,13H2,1H3.
What are the key properties of 1-N-[6-(2-methoxyethoxy)-3-pyridinyl]cyclobutane-1,3-diamine?
1-N-[6-(2-methoxyethoxy)-3-pyridinyl]cyclobutane-1,3-diamine has a molecular weight of 237.30 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[6-(2-methoxyethoxy)-3-pyridinyl]cyclobutane-1,3-diamine is sourced from PubChem (CID 80559905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).