2-methyl-N-[(5-octoxypyrazin-2-yl)methyl]propan-1-amine

C17H31N3O — CID 107381539

IUPAC2-methyl-N-[(5-octoxypyrazin-2-yl)methyl]propan-1-amine
SMILESCCCCCCCCOc1cnc(CNCC(C)C)cn1
InChIInChI=1S/C17H31N3O/c1-4-5-6-7-8-9-10-21-17-14-19-16(13-20-17)12-18-11-15(2)3/h13-15,18H,4-12H2,1-3H3
InChIKeyYZRPYCQRMYJBEB-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.96
Rot. Bonds12

About 2-methyl-N-[(5-octoxypyrazin-2-yl)methyl]propan-1-amine

2-methyl-N-[(5-octoxypyrazin-2-yl)methyl]propan-1-amine (PubChem CID 107381539) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-methyl-N-[(5-octoxypyrazin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-octoxypyrazin-2-yl)methyl]propan-1-amine
PubChem CID107381539
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name2-methyl-N-[(5-octoxypyrazin-2-yl)methyl]propan-1-amine
SMILESCCCCCCCCOc1cnc(CNCC(C)C)cn1
InChIInChI=1S/C17H31N3O/c1-4-5-6-7-8-9-10-21-17-14-19-16(13-20-17)12-18-11-15(2)3/h13-15,18H,4-12H2,1-3H3
InChIKeyYZRPYCQRMYJBEB-UHFFFAOYSA-N
XLogP3.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.96
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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Related Compounds

N-[[5-(2-ethylhexoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107381509
N-[(5-methoxypyrazin-2-yl)methyl]-2-methylpropan-1-amine
CID 107381363
N-[(6-hexoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 55058295
2-methyl-N-[[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrazin-2-yl]methyl]propan-1-amine
CID 107381426
N-[(3-chloro-6-heptoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 63488450
2-methyl-N-[[5-(oxan-4-yloxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381295
2-methyl-N-[(2-octoxy-3-pyridinyl)methyl]propan-1-amine
CID 63488126
2-methyl-N-[(4-octoxyphenyl)methyl]propan-1-amine
CID 60657431
N-[(5-chloro-6-heptoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 63487951
N-[[5-(3,4-dimethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107381790
N-[(4-heptoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 81254076
N,N-dimethyl-5-[(2-methylpropylamino)methyl]pyrazin-2-amine
CID 107378992

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-octoxypyrazin-2-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(5-octoxypyrazin-2-yl)methyl]propan-1-amine (CID 107381539) is 2-methyl-N-[(5-octoxypyrazin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(5-octoxypyrazin-2-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(5-octoxypyrazin-2-yl)methyl]propan-1-amine is CCCCCCCCOc1cnc(CNCC(C)C)cn1.
What is the InChIKey of 2-methyl-N-[(5-octoxypyrazin-2-yl)methyl]propan-1-amine?
The InChIKey is YZRPYCQRMYJBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-4-5-6-7-8-9-10-21-17-14-19-16(13-20-17)12-18-11-15(2)3/h13-15,18H,4-12H2,1-3H3.
What are the key properties of 2-methyl-N-[(5-octoxypyrazin-2-yl)methyl]propan-1-amine?
2-methyl-N-[(5-octoxypyrazin-2-yl)methyl]propan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 3.96, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-octoxypyrazin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 107381539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).