N-[(5-methylpyrazin-2-yl)methyl]-3-phenylbutan-1-amine

C16H21N3 — CID 62848270

IUPACN-[(5-methylpyrazin-2-yl)methyl]-3-phenylbutan-1-amine
SMILESCc1cnc(CNCCC(C)c2ccccc2)cn1
InChIInChI=1S/C16H21N3/c1-13(15-6-4-3-5-7-15)8-9-17-11-16-12-18-14(2)10-19-16/h3-7,10,12-13,17H,8-9,11H2,1-2H3
InChIKeyJFUGEEYNEXHNQI-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.07
Rot. Bonds6

About N-[(5-methylpyrazin-2-yl)methyl]-3-phenylbutan-1-amine

N-[(5-methylpyrazin-2-yl)methyl]-3-phenylbutan-1-amine (PubChem CID 62848270) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-3-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]-3-phenylbutan-1-amine
PubChem CID62848270
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]-3-phenylbutan-1-amine
SMILESCc1cnc(CNCCC(C)c2ccccc2)cn1
InChIInChI=1S/C16H21N3/c1-13(15-6-4-3-5-7-15)8-9-17-11-16-12-18-14(2)10-19-16/h3-7,10,12-13,17H,8-9,11H2,1-2H3
InChIKeyJFUGEEYNEXHNQI-UHFFFAOYSA-N
XLogP3.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-N-(pyrimidin-4-ylmethyl)butan-1-amine
CID 55152743
3-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine
CID 55152744
N-[(5-methyl-3-pyridinyl)methyl]-3-phenylbutan-1-amine
CID 102880849
3,3,3-trifluoro-N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpropan-1-amine
CID 62847357
6-methyl-2-[(3-phenylbutylamino)methyl]pyridin-3-ol
CID 78928923
3-phenyl-N-[(2,4,5-trimethylphenyl)methyl]butan-1-amine
CID 63462579
N-[(1-tert-butyltriazol-4-yl)methyl]-3-phenylbutan-1-amine
CID 103399083
N',N'-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]ethane-1,2-diamine
CID 62845919
1-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol
CID 62847369
2,6-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]heptan-4-amine
CID 62847163
N-[(2,4-dimethylphenyl)methyl]-3-phenylbutan-1-amine
CID 63462083
1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
CID 62414083

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-3-phenylbutan-1-amine?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-3-phenylbutan-1-amine (CID 62848270) is N-[(5-methylpyrazin-2-yl)methyl]-3-phenylbutan-1-amine.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]-3-phenylbutan-1-amine?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-3-phenylbutan-1-amine is Cc1cnc(CNCCC(C)c2ccccc2)cn1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]-3-phenylbutan-1-amine?
The InChIKey is JFUGEEYNEXHNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-13(15-6-4-3-5-7-15)8-9-17-11-16-12-18-14(2)10-19-16/h3-7,10,12-13,17H,8-9,11H2,1-2H3.
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]-3-phenylbutan-1-amine?
N-[(5-methylpyrazin-2-yl)methyl]-3-phenylbutan-1-amine has a molecular weight of 255.37 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)methyl]-3-phenylbutan-1-amine is sourced from PubChem (CID 62848270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).