2-phenyl-N-propyl-1-pyrazin-2-ylbutan-1-amine

C17H23N3 — CID 115860421

IUPAC2-phenyl-N-propyl-1-pyrazin-2-ylbutan-1-amine
SMILESCCCNC(c1cnccn1)C(CC)c1ccccc1
InChIInChI=1S/C17H23N3/c1-3-10-20-17(16-13-18-11-12-19-16)15(4-2)14-8-6-5-7-9-14/h5-9,11-13,15,17,20H,3-4,10H2,1-2H3
InChIKeyYHFOKWXPTFEMMU-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.71
Rot. Bonds7

About 2-phenyl-N-propyl-1-pyrazin-2-ylbutan-1-amine

2-phenyl-N-propyl-1-pyrazin-2-ylbutan-1-amine (PubChem CID 115860421) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-phenyl-N-propyl-1-pyrazin-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-phenyl-N-propyl-1-pyrazin-2-ylbutan-1-amine
PubChem CID115860421
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-phenyl-N-propyl-1-pyrazin-2-ylbutan-1-amine
SMILESCCCNC(c1cnccn1)C(CC)c1ccccc1
InChIInChI=1S/C17H23N3/c1-3-10-20-17(16-13-18-11-12-19-16)15(4-2)14-8-6-5-7-9-14/h5-9,11-13,15,17,20H,3-4,10H2,1-2H3
InChIKeyYHFOKWXPTFEMMU-UHFFFAOYSA-N
XLogP3.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-phenyl-1-pyrazin-2-ylbutyl)hydrazine
CID 105308706
N-(2,2-difluoro-1-pyrazin-2-ylethyl)propan-1-amine
CID 103759753
1-phenyl-2-pyrazin-2-ylbutan-1-amine
CID 57009177
1-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine
CID 103135439
3,3,3-trifluoro-N-propyl-1-pyrazin-2-yl-2-(trifluoromethyl)propan-1-amine
CID 103311965
N-(2-phenoxy-1-pyrazin-2-ylethyl)propan-1-amine
CID 63969223
2-cyclopropyl-N-propyl-1-pyrazin-2-ylpropan-1-amine
CID 115860641
N-[(3-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 60819603
1-(2-chlorophenyl)-2-phenyl-N-propylbutan-1-amine
CID 115801219
1-(3-chlorothiophen-2-yl)-2-phenyl-N-propylbutan-1-amine
CID 80529506
3-phenyl-N-propylpentan-2-amine
CID 66438754
1-(3-chlorophenyl)-2-phenyl-N-propylbutan-1-amine
CID 115811575

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-propyl-1-pyrazin-2-ylbutan-1-amine?
The IUPAC name of 2-phenyl-N-propyl-1-pyrazin-2-ylbutan-1-amine (CID 115860421) is 2-phenyl-N-propyl-1-pyrazin-2-ylbutan-1-amine.
What is the SMILES notation for 2-phenyl-N-propyl-1-pyrazin-2-ylbutan-1-amine?
The canonical SMILES for 2-phenyl-N-propyl-1-pyrazin-2-ylbutan-1-amine is CCCNC(c1cnccn1)C(CC)c1ccccc1.
What is the InChIKey of 2-phenyl-N-propyl-1-pyrazin-2-ylbutan-1-amine?
The InChIKey is YHFOKWXPTFEMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-10-20-17(16-13-18-11-12-19-16)15(4-2)14-8-6-5-7-9-14/h5-9,11-13,15,17,20H,3-4,10H2,1-2H3.
What are the key properties of 2-phenyl-N-propyl-1-pyrazin-2-ylbutan-1-amine?
2-phenyl-N-propyl-1-pyrazin-2-ylbutan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-propyl-1-pyrazin-2-ylbutan-1-amine is sourced from PubChem (CID 115860421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).