[3-[2-(2-methylpropoxy)ethoxy]pyrazin-2-yl]methanamine

C11H19N3O2 — CID 106446703

IUPAC[3-[2-(2-methylpropoxy)ethoxy]pyrazin-2-yl]methanamine
SMILESCC(C)COCCOc1nccnc1CN
InChIInChI=1S/C11H19N3O2/c1-9(2)8-15-5-6-16-11-10(7-12)13-3-4-14-11/h3-4,9H,5-8,12H2,1-2H3
InChIKeyBUSMNFSAIVRTND-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.99
Rot. Bonds7

About [3-[2-(2-methylpropoxy)ethoxy]pyrazin-2-yl]methanamine

[3-[2-(2-methylpropoxy)ethoxy]pyrazin-2-yl]methanamine (PubChem CID 106446703) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is [3-[2-(2-methylpropoxy)ethoxy]pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[3-[2-(2-methylpropoxy)ethoxy]pyrazin-2-yl]methanamine
PubChem CID106446703
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name[3-[2-(2-methylpropoxy)ethoxy]pyrazin-2-yl]methanamine
SMILESCC(C)COCCOc1nccnc1CN
InChIInChI=1S/C11H19N3O2/c1-9(2)8-15-5-6-16-11-10(7-12)13-3-4-14-11/h3-4,9H,5-8,12H2,1-2H3
InChIKeyBUSMNFSAIVRTND-UHFFFAOYSA-N
XLogP0.99
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-fluoro-2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methanamine
CID 106449463
(3-pentoxypyrazin-2-yl)methanamine
CID 62672198
3-[2-(2-methylpropoxy)ethoxy]pyrazine-2-carboxylic acid
CID 106450331
3-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine
CID 106448463
[3,5-dimethyl-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine
CID 106449258
[5-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrimidin-2-yl]hydrazine
CID 106451634
4-[2-(2-methylpropoxy)ethoxy]pyridin-3-amine
CID 106446734
[3-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine
CID 43254178
3-chloro-5-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine
CID 106448479
5-chloro-2-[2-(2-methylpropoxy)ethoxy]pyridine
CID 106448551
5-bromo-2-[2-(2-methylpropoxy)ethoxy]pyrimidine
CID 69073848
4,6-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pyridine-3-carbothioamide
CID 106447664

Frequently Asked Questions

What is the IUPAC name of [3-[2-(2-methylpropoxy)ethoxy]pyrazin-2-yl]methanamine?
The IUPAC name of [3-[2-(2-methylpropoxy)ethoxy]pyrazin-2-yl]methanamine (CID 106446703) is [3-[2-(2-methylpropoxy)ethoxy]pyrazin-2-yl]methanamine.
What is the SMILES notation for [3-[2-(2-methylpropoxy)ethoxy]pyrazin-2-yl]methanamine?
The canonical SMILES for [3-[2-(2-methylpropoxy)ethoxy]pyrazin-2-yl]methanamine is CC(C)COCCOc1nccnc1CN.
What is the InChIKey of [3-[2-(2-methylpropoxy)ethoxy]pyrazin-2-yl]methanamine?
The InChIKey is BUSMNFSAIVRTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9(2)8-15-5-6-16-11-10(7-12)13-3-4-14-11/h3-4,9H,5-8,12H2,1-2H3.
What are the key properties of [3-[2-(2-methylpropoxy)ethoxy]pyrazin-2-yl]methanamine?
[3-[2-(2-methylpropoxy)ethoxy]pyrazin-2-yl]methanamine has a molecular weight of 225.29 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2-methylpropoxy)ethoxy]pyrazin-2-yl]methanamine is sourced from PubChem (CID 106446703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).