N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-6-(propylaminomethyl)pyrazin-2-amine

C16H28N4O — CID 66450066

IUPACN-(1-cyclopropylethyl)-N-(2-methoxyethyl)-6-(propylaminomethyl)pyrazin-2-amine
SMILESCCCNCc1cncc(N(CCOC)C(C)C2CC2)n1
InChIInChI=1S/C16H28N4O/c1-4-7-17-10-15-11-18-12-16(19-15)20(8-9-21-3)13(2)14-5-6-14/h11-14,17H,4-10H2,1-3H3
InChIKeyTWRMRUTXWQIPDM-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.23
Rot. Bonds10

About N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-6-(propylaminomethyl)pyrazin-2-amine

N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-6-(propylaminomethyl)pyrazin-2-amine (PubChem CID 66450066) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-6-(propylaminomethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N-(2-methoxyethyl)-6-(propylaminomethyl)pyrazin-2-amine
PubChem CID66450066
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-(1-cyclopropylethyl)-N-(2-methoxyethyl)-6-(propylaminomethyl)pyrazin-2-amine
SMILESCCCNCc1cncc(N(CCOC)C(C)C2CC2)n1
InChIInChI=1S/C16H28N4O/c1-4-7-17-10-15-11-18-12-16(19-15)20(8-9-21-3)13(2)14-5-6-14/h11-14,17H,4-10H2,1-3H3
InChIKeyTWRMRUTXWQIPDM-UHFFFAOYSA-N
XLogP2.23
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.23
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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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-6-(propylaminomethyl)pyrazin-2-amine?
The IUPAC name of N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-6-(propylaminomethyl)pyrazin-2-amine (CID 66450066) is N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-6-(propylaminomethyl)pyrazin-2-amine.
What is the SMILES notation for N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-6-(propylaminomethyl)pyrazin-2-amine?
The canonical SMILES for N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-6-(propylaminomethyl)pyrazin-2-amine is CCCNCc1cncc(N(CCOC)C(C)C2CC2)n1.
What is the InChIKey of N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-6-(propylaminomethyl)pyrazin-2-amine?
The InChIKey is TWRMRUTXWQIPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-7-17-10-15-11-18-12-16(19-15)20(8-9-21-3)13(2)14-5-6-14/h11-14,17H,4-10H2,1-3H3.
What are the key properties of N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-6-(propylaminomethyl)pyrazin-2-amine?
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-6-(propylaminomethyl)pyrazin-2-amine has a molecular weight of 292.43 g/mol, XLogP of 2.23, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-6-(propylaminomethyl)pyrazin-2-amine is sourced from PubChem (CID 66450066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).