N-[[6-(2-methylpropoxy)pyrazin-2-yl]methyl]propan-1-amine

C12H21N3O — CID 66449996

IUPACN-[[6-(2-methylpropoxy)pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cncc(OCC(C)C)n1
InChIInChI=1S/C12H21N3O/c1-4-5-13-6-11-7-14-8-12(15-11)16-9-10(2)3/h7-8,10,13H,4-6,9H2,1-3H3
InChIKeyXMUKVGJJLMBLCP-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.01
Rot. Bonds7

About N-[[6-(2-methylpropoxy)pyrazin-2-yl]methyl]propan-1-amine

N-[[6-(2-methylpropoxy)pyrazin-2-yl]methyl]propan-1-amine (PubChem CID 66449996) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[[6-(2-methylpropoxy)pyrazin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(2-methylpropoxy)pyrazin-2-yl]methyl]propan-1-amine
PubChem CID66449996
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[[6-(2-methylpropoxy)pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cncc(OCC(C)C)n1
InChIInChI=1S/C12H21N3O/c1-4-5-13-6-11-7-14-8-12(15-11)16-9-10(2)3/h7-8,10,13H,4-6,9H2,1-3H3
InChIKeyXMUKVGJJLMBLCP-UHFFFAOYSA-N
XLogP2.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.01
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-[[6-(2-butoxyethoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 66451575
[6-(2-methylpropoxy)pyrazin-2-yl]methanol
CID 66467542
N-[[6-(3,5-difluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 66466126
N-[[6-(2-propan-2-yloxyethoxy)pyrazin-2-yl]methyl]ethanamine
CID 66450004
N-[(6-ethoxypyrazin-2-yl)methyl]propan-2-amine
CID 66450778
N-[[6-[(1-methylpiperidin-2-yl)methoxy]pyrazin-2-yl]methyl]propan-1-amine
CID 66465686
N-[(6-butoxypyrazin-2-yl)methyl]propan-2-amine
CID 66451389
2-methyl-N-[(6-propan-2-yloxypyrazin-2-yl)methyl]propan-1-amine
CID 66451958
N-[(6-hexoxypyrazin-2-yl)methyl]propan-2-amine
CID 66449819
N-[[6-(cyclopentylmethoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 66468416
N-[[6-[2-(2-methylpropoxy)ethoxy]pyrazin-2-yl]methyl]cyclopropanamine
CID 106449495
N-[[6-(2-ethylhexoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 66450602

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-methylpropoxy)pyrazin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(2-methylpropoxy)pyrazin-2-yl]methyl]propan-1-amine (CID 66449996) is N-[[6-(2-methylpropoxy)pyrazin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(2-methylpropoxy)pyrazin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(2-methylpropoxy)pyrazin-2-yl]methyl]propan-1-amine is CCCNCc1cncc(OCC(C)C)n1.
What is the InChIKey of N-[[6-(2-methylpropoxy)pyrazin-2-yl]methyl]propan-1-amine?
The InChIKey is XMUKVGJJLMBLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-5-13-6-11-7-14-8-12(15-11)16-9-10(2)3/h7-8,10,13H,4-6,9H2,1-3H3.
What are the key properties of N-[[6-(2-methylpropoxy)pyrazin-2-yl]methyl]propan-1-amine?
N-[[6-(2-methylpropoxy)pyrazin-2-yl]methyl]propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-methylpropoxy)pyrazin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 66449996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).