N-[[6-(2-butoxyethoxy)pyrazin-2-yl]methyl]cyclopropanamine

C14H23N3O2 — CID 66450987

IUPACN-[[6-(2-butoxyethoxy)pyrazin-2-yl]methyl]cyclopropanamine
SMILESCCCCOCCOc1cncc(CNC2CC2)n1
InChIInChI=1S/C14H23N3O2/c1-2-3-6-18-7-8-19-14-11-15-9-13(17-14)10-16-12-4-5-12/h9,11-12,16H,2-8,10H2,1H3
InChIKeyVONUNQQDTJHHCC-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.92
Rot. Bonds10

About N-[[6-(2-butoxyethoxy)pyrazin-2-yl]methyl]cyclopropanamine

N-[[6-(2-butoxyethoxy)pyrazin-2-yl]methyl]cyclopropanamine (PubChem CID 66450987) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[[6-(2-butoxyethoxy)pyrazin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(2-butoxyethoxy)pyrazin-2-yl]methyl]cyclopropanamine
PubChem CID66450987
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-[[6-(2-butoxyethoxy)pyrazin-2-yl]methyl]cyclopropanamine
SMILESCCCCOCCOc1cncc(CNC2CC2)n1
InChIInChI=1S/C14H23N3O2/c1-2-3-6-18-7-8-19-14-11-15-9-13(17-14)10-16-12-4-5-12/h9,11-12,16H,2-8,10H2,1H3
InChIKeyVONUNQQDTJHHCC-UHFFFAOYSA-N
XLogP1.92
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.92
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

N-[[6-[2-(2-methylpropoxy)ethoxy]pyrazin-2-yl]methyl]cyclopropanamine
CID 106449495
N-[[6-(2-butoxyethoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 66451575
N-[[6-(3-phenylpropoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 66449855
N-[(6-butoxypyrazin-2-yl)methyl]propan-2-amine
CID 66451389
N-[[6-(4-ethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 66451008
N-[[6-(2-butoxyethoxy)-5-chloro-3-pyridinyl]methyl]cyclopropanamine
CID 62291810
N-[(6-hexoxypyrazin-2-yl)methyl]propan-2-amine
CID 66449819
N-[[5-(2-butoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62457342
N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 66467741
[6-[2-(3-methoxypropoxy)ethoxy]pyrazin-2-yl]methanamine
CID 103180853
N-[[6-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 66451614
N-[[6-(2,3,5-trimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 66451411

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-butoxyethoxy)pyrazin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(2-butoxyethoxy)pyrazin-2-yl]methyl]cyclopropanamine (CID 66450987) is N-[[6-(2-butoxyethoxy)pyrazin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(2-butoxyethoxy)pyrazin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(2-butoxyethoxy)pyrazin-2-yl]methyl]cyclopropanamine is CCCCOCCOc1cncc(CNC2CC2)n1.
What is the InChIKey of N-[[6-(2-butoxyethoxy)pyrazin-2-yl]methyl]cyclopropanamine?
The InChIKey is VONUNQQDTJHHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-3-6-18-7-8-19-14-11-15-9-13(17-14)10-16-12-4-5-12/h9,11-12,16H,2-8,10H2,1H3.
What are the key properties of N-[[6-(2-butoxyethoxy)pyrazin-2-yl]methyl]cyclopropanamine?
N-[[6-(2-butoxyethoxy)pyrazin-2-yl]methyl]cyclopropanamine has a molecular weight of 265.36 g/mol, XLogP of 1.92, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-butoxyethoxy)pyrazin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66450987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).