[6-[2-(aziridin-2-yl)ethoxy]-3-pyridinyl]methanamine

C10H15N3O — CID 175486582

IUPAC[6-[2-(aziridin-2-yl)ethoxy]-3-pyridinyl]methanamine
SMILESNCc1ccc(OCCC2CN2)nc1
InChIInChI=1S/C10H15N3O/c11-5-8-1-2-10(13-6-8)14-4-3-9-7-12-9/h1-2,6,9,12H,3-5,7,11H2
InChIKeyZMHDQABJCHXPOP-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.28
Rot. Bonds5

About [6-[2-(aziridin-2-yl)ethoxy]-3-pyridinyl]methanamine

[6-[2-(aziridin-2-yl)ethoxy]-3-pyridinyl]methanamine (PubChem CID 175486582) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is [6-[2-(aziridin-2-yl)ethoxy]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-[2-(aziridin-2-yl)ethoxy]-3-pyridinyl]methanamine
PubChem CID175486582
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name[6-[2-(aziridin-2-yl)ethoxy]-3-pyridinyl]methanamine
SMILESNCc1ccc(OCCC2CN2)nc1
InChIInChI=1S/C10H15N3O/c11-5-8-1-2-10(13-6-8)14-4-3-9-7-12-9/h1-2,6,9,12H,3-5,7,11H2
InChIKeyZMHDQABJCHXPOP-UHFFFAOYSA-N
XLogP0.28
TPSA70.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]methanamine
CID 146194190
(1R,4S,6R)-4-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-3-azabicyclo[4.1.0]heptane
CID 66742245
[6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methanamine
CID 62290951
5-(chloromethyl)-2-(2-cyclobutylethoxy)pyridine
CID 106203581
1-[[5-(aminomethyl)-2-pyridinyl]oxy]-2-methylpropan-2-ol
CID 67042824
5-bromo-2-(2-piperidin-2-ylethoxy)pyridine;hydrochloride
CID 71636389
[6-(oxolan-3-yloxy)-3-pyridinyl]methanamine
CID 63559217
[6-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine
CID 82828442
2-[(5-iodo-2-pyridinyl)oxy]ethanamine
CID 134519401
4-[[5-(aminomethyl)-2-pyridinyl]oxy]cyclohexan-1-one;oxalic acid
CID 86261779
(6-pentan-2-yloxy-3-pyridinyl)methanamine
CID 102980166
(6-bromo-3-pyridinyl)methanamine
CID 22450529

Frequently Asked Questions

What is the IUPAC name of [6-[2-(aziridin-2-yl)ethoxy]-3-pyridinyl]methanamine?
The IUPAC name of [6-[2-(aziridin-2-yl)ethoxy]-3-pyridinyl]methanamine (CID 175486582) is [6-[2-(aziridin-2-yl)ethoxy]-3-pyridinyl]methanamine.
What is the SMILES notation for [6-[2-(aziridin-2-yl)ethoxy]-3-pyridinyl]methanamine?
The canonical SMILES for [6-[2-(aziridin-2-yl)ethoxy]-3-pyridinyl]methanamine is NCc1ccc(OCCC2CN2)nc1.
What is the InChIKey of [6-[2-(aziridin-2-yl)ethoxy]-3-pyridinyl]methanamine?
The InChIKey is ZMHDQABJCHXPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c11-5-8-1-2-10(13-6-8)14-4-3-9-7-12-9/h1-2,6,9,12H,3-5,7,11H2.
What are the key properties of [6-[2-(aziridin-2-yl)ethoxy]-3-pyridinyl]methanamine?
[6-[2-(aziridin-2-yl)ethoxy]-3-pyridinyl]methanamine has a molecular weight of 193.25 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(aziridin-2-yl)ethoxy]-3-pyridinyl]methanamine is sourced from PubChem (CID 175486582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).