N-ethyl-3-(3-methylbutoxy)-1-pyrazin-2-ylpropan-1-amine

C14H25N3O — CID 55095073

IUPACN-ethyl-3-(3-methylbutoxy)-1-pyrazin-2-ylpropan-1-amine
SMILESCCNC(CCOCCC(C)C)c1cnccn1
InChIInChI=1S/C14H25N3O/c1-4-16-13(14-11-15-7-8-17-14)6-10-18-9-5-12(2)3/h7-8,11-13,16H,4-6,9-10H2,1-3H3
InChIKeyMFTRPMQYLIVDKK-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.58
Rot. Bonds9

About N-ethyl-3-(3-methylbutoxy)-1-pyrazin-2-ylpropan-1-amine

N-ethyl-3-(3-methylbutoxy)-1-pyrazin-2-ylpropan-1-amine (PubChem CID 55095073) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-ethyl-3-(3-methylbutoxy)-1-pyrazin-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(3-methylbutoxy)-1-pyrazin-2-ylpropan-1-amine
PubChem CID55095073
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-ethyl-3-(3-methylbutoxy)-1-pyrazin-2-ylpropan-1-amine
SMILESCCNC(CCOCCC(C)C)c1cnccn1
InChIInChI=1S/C14H25N3O/c1-4-16-13(14-11-15-7-8-17-14)6-10-18-9-5-12(2)3/h7-8,11-13,16H,4-6,9-10H2,1-3H3
InChIKeyMFTRPMQYLIVDKK-UHFFFAOYSA-N
XLogP2.58
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-methylbutoxy)-1-pyrazin-2-ylpropan-1-amine?
The IUPAC name of N-ethyl-3-(3-methylbutoxy)-1-pyrazin-2-ylpropan-1-amine (CID 55095073) is N-ethyl-3-(3-methylbutoxy)-1-pyrazin-2-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-(3-methylbutoxy)-1-pyrazin-2-ylpropan-1-amine?
The canonical SMILES for N-ethyl-3-(3-methylbutoxy)-1-pyrazin-2-ylpropan-1-amine is CCNC(CCOCCC(C)C)c1cnccn1.
What is the InChIKey of N-ethyl-3-(3-methylbutoxy)-1-pyrazin-2-ylpropan-1-amine?
The InChIKey is MFTRPMQYLIVDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-16-13(14-11-15-7-8-17-14)6-10-18-9-5-12(2)3/h7-8,11-13,16H,4-6,9-10H2,1-3H3.
What are the key properties of N-ethyl-3-(3-methylbutoxy)-1-pyrazin-2-ylpropan-1-amine?
N-ethyl-3-(3-methylbutoxy)-1-pyrazin-2-ylpropan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-methylbutoxy)-1-pyrazin-2-ylpropan-1-amine is sourced from PubChem (CID 55095073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).