N-[[6-(3-phenylpropoxy)pyrazin-2-yl]methyl]cyclopropanamine

C17H21N3O — CID 66449855

IUPACN-[[6-(3-phenylpropoxy)pyrazin-2-yl]methyl]cyclopropanamine
SMILESc1ccc(CCCOc2cncc(CNC3CC3)n2)cc1
InChIInChI=1S/C17H21N3O/c1-2-5-14(6-3-1)7-4-10-21-17-13-18-11-16(20-17)12-19-15-8-9-15/h1-3,5-6,11,13,15,19H,4,7-10,12H2
InChIKeyVCSQFZOICCWQSY-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.74
Rot. Bonds8

About N-[[6-(3-phenylpropoxy)pyrazin-2-yl]methyl]cyclopropanamine

N-[[6-(3-phenylpropoxy)pyrazin-2-yl]methyl]cyclopropanamine (PubChem CID 66449855) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[[6-(3-phenylpropoxy)pyrazin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(3-phenylpropoxy)pyrazin-2-yl]methyl]cyclopropanamine
PubChem CID66449855
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[[6-(3-phenylpropoxy)pyrazin-2-yl]methyl]cyclopropanamine
SMILESc1ccc(CCCOc2cncc(CNC3CC3)n2)cc1
InChIInChI=1S/C17H21N3O/c1-2-5-14(6-3-1)7-4-10-21-17-13-18-11-16(20-17)12-19-15-8-9-15/h1-3,5-6,11,13,15,19H,4,7-10,12H2
InChIKeyVCSQFZOICCWQSY-UHFFFAOYSA-N
XLogP2.74
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.74
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]cyclopropanamine
CID 66450987
N-[[6-[2-(2-methylpropoxy)ethoxy]pyrazin-2-yl]methyl]cyclopropanamine
CID 106449495
N-[[6-(4-ethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 66451008
N-[(5-phenylmethoxypyrazin-2-yl)methyl]cyclopropanamine
CID 107381343
N-[[2-(2-phenylethyl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 62749177
N-[[5-(2-phenoxyethoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107381473
N-[[6-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 66451614
N-[[5-(3-phenylpropoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107558814
4-[[3-(3-phenylpropoxy)phenyl]methylamino]cyclohexan-1-ol
CID 119128369
N-[[4-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366707
2-methyl-N-[(6-phenylmethoxypyrazin-2-yl)methyl]propan-2-amine
CID 66451944
N-[[6-(2,5-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 66467503

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-phenylpropoxy)pyrazin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(3-phenylpropoxy)pyrazin-2-yl]methyl]cyclopropanamine (CID 66449855) is N-[[6-(3-phenylpropoxy)pyrazin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(3-phenylpropoxy)pyrazin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(3-phenylpropoxy)pyrazin-2-yl]methyl]cyclopropanamine is c1ccc(CCCOc2cncc(CNC3CC3)n2)cc1.
What is the InChIKey of N-[[6-(3-phenylpropoxy)pyrazin-2-yl]methyl]cyclopropanamine?
The InChIKey is VCSQFZOICCWQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-5-14(6-3-1)7-4-10-21-17-13-18-11-16(20-17)12-19-15-8-9-15/h1-3,5-6,11,13,15,19H,4,7-10,12H2.
What are the key properties of N-[[6-(3-phenylpropoxy)pyrazin-2-yl]methyl]cyclopropanamine?
N-[[6-(3-phenylpropoxy)pyrazin-2-yl]methyl]cyclopropanamine has a molecular weight of 283.38 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-phenylpropoxy)pyrazin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66449855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).